 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer01_STD_wB97XD_def2SVPD.in
 Output=21_phenylethanol_conformer01_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-192456.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    192465.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer01_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer01_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.166220000000     -0.541659000000      1.195302000000
  C                                                 1.646020000000     -0.400115000000     -0.135719000000
  H                                                 1.838555000000      0.193959000000      1.725431000000
  H                                                 1.824407000000     -1.375317000000     -0.592567000000
  C                                                 2.427578000000      0.650046000000     -0.915467000000
  C                                                 0.150400000000     -0.165668000000     -0.105785000000
  H                                                 2.328899000000      1.638727000000     -0.463185000000
  H                                                 2.074000000000      0.712216000000     -1.946429000000
  H                                                 3.485412000000      0.387513000000     -0.919933000000
  C                                                -0.725222000000     -1.234479000000     -0.286837000000
  C                                                -2.100455000000     -1.052102000000     -0.214220000000
  C                                                -2.622082000000      0.208958000000      0.048005000000
  C                                                -1.759833000000      1.283245000000      0.232897000000
  C                                                -0.385458000000      1.096625000000      0.152590000000
  H                                                -0.321703000000     -2.220444000000     -0.483457000000
  H                                                -2.764487000000     -1.894375000000     -0.360877000000
  H                                                -3.693001000000      0.354600000000      0.105456000000
  H                                                -2.158100000000      2.269728000000      0.433453000000
  H                                                 0.270579000000      1.947610000000      0.286902000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.436057   0.000000
     3  H    0.964124   1.963128   0.000000
     4  H    2.002073   1.091582   2.799275   0.000000
     5  C    2.437994   1.523705   2.743958   2.137797   0.000000
     6  C    2.428524   1.514180   2.516456   2.121911   2.550787
     7  H    2.744290   2.174956   2.667926   3.058711   1.091690
     8  H    3.383959   2.167745   3.715721   2.500607   1.091680
     9  H    2.660422   2.149119   3.122107   2.444110   1.089934
    10  C    3.322224   2.518291   3.558456   2.571753   3.726494
    11  C    4.522369   3.803594   4.564068   3.956281   4.887958
    12  C    4.980718   4.315254   4.765634   4.763562   5.159642
    13  C    4.435131   3.816990   4.045071   4.538295   4.387948
    14  C    3.206600   2.539735   2.869646   3.398420   3.041932
    15  H    3.438940   2.703045   3.921128   2.309098   3.998111
    16  H    5.344474   4.662197   5.468255   4.623965   5.808544
    17  H    6.026733   5.397491   5.766128   5.824229   6.212170
    18  H    5.213833   4.682237   4.685219   5.495401   5.046920
    19  H    3.258083   2.753590   2.757391   3.772226   2.789625
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.851216   0.000000
     8  H    2.803371   1.767317   0.000000
     9  H    3.477233   1.763995   1.775165   0.000000
    10  C    1.393503   4.196912   3.792033   4.556436   0.000000
    11  C    2.421543   5.188615   4.851746   5.811405   1.389173
    12  C    2.801902   5.178587   5.126814   6.186297   2.407012
    13  C    2.421372   4.162767   4.446775   5.444626   2.771187
    14  C    1.395452   2.835628   3.256161   4.078821   2.396368
    15  H    2.141873   4.681805   4.059578   4.635308   1.083335
    16  H    3.398539   6.199666   5.720074   6.676885   2.144655
    17  H    3.884203   6.183495   6.131592   7.251353   3.389215
    18  H    3.398691   4.619013   5.099054   6.101116   3.853754
    19  H    2.152810   2.212402   3.125107   3.771671   3.383266
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389651   0.000000
    13  C    2.402037   1.389874   0.000000
    14  C    2.773588   2.408605   1.389310   0.000000
    15  H    2.145104   3.387653   3.854506   3.378101   0.000000
    16  H    1.082530   2.147434   3.385139   3.856100   2.467497
    17  H    2.148768   1.082303   2.148432   3.390083   4.282910
    18  H    3.384872   2.147236   1.082584   2.144135   4.937076
    19  H    3.856319   3.383411   2.137024   1.082866   4.279828
                   16         17         18         19
    16  H    0.000000
    17  H    2.477396   0.000000
    18  H    4.282338   2.476130   0.000000
    19  H    4.938835   4.275578   2.454327   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4676766           1.1011704           0.9798041
 Leave Link  202 at Thu Aug 12 22:29:42 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       424.8829512949 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103899657 Hartrees.
 Nuclear repulsion after empirical dispersion term =      424.8725613293 Hartrees.
 Leave Link  301 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.18D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:29:43 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:29:44 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer01_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:29:44 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.701931905861    
 DIIS: error= 4.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.701931905861     IErMin= 1 ErrMin= 4.32D-03
 ErrMax= 4.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.39D-03 BMatP= 9.39D-03
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 GapD=    0.380 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.68D-03 MaxDP=2.61D-01              OVMax= 1.91D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.55D-03    CP:  1.14D+00
 E= -385.710073385505     Delta-E=       -0.008141479643 Rises=F Damp=F
 DIIS: error= 5.55D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.710073385505     IErMin= 2 ErrMin= 5.55D-04
 ErrMax= 5.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-04 BMatP= 9.39D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.55D-03
 Coeff-Com: -0.149D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.149D-01 0.101D+01
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.68D-03 MaxDP=5.65D-02 DE=-8.14D-03 OVMax= 7.44D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.61D-04    CP:  1.17D+00  1.11D+00
 E= -385.710327200970     Delta-E=       -0.000253815466 Rises=F Damp=F
 DIIS: error= 6.46D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.710327200970     IErMin= 2 ErrMin= 5.55D-04
 ErrMax= 6.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-04 BMatP= 3.20D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.46D-03
 Coeff-Com: -0.490D-01 0.505D+00 0.544D+00
 Coeff-En:   0.000D+00 0.106D+00 0.894D+00
 Coeff:     -0.487D-01 0.502D+00 0.546D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.86D-04 MaxDP=5.37D-03 DE=-2.54D-04 OVMax= 3.60D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.18D-04    CP:  1.17D+00  1.12D+00  1.10D+00
 E= -385.710532261987     Delta-E=       -0.000205061016 Rises=F Damp=F
 DIIS: error= 1.01D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.710532261987     IErMin= 4 ErrMin= 1.01D-04
 ErrMax= 1.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-06 BMatP= 2.84D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.01D-03
 Coeff-Com: -0.110D-01 0.426D-01 0.124D+00 0.844D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.110D-01 0.426D-01 0.124D+00 0.844D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.39D-05 MaxDP=1.18D-03 DE=-2.05D-04 OVMax= 8.11D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.34D-05    CP:  1.17D+00  1.12D+00  1.12D+00  1.13D+00
 E= -385.710538694531     Delta-E=       -0.000006432545 Rises=F Damp=F
 DIIS: error= 3.51D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.710538694531     IErMin= 5 ErrMin= 3.51D-05
 ErrMax= 3.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-06 BMatP= 6.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-02-0.391D-01-0.195D-01 0.301D+00 0.756D+00
 Coeff:      0.155D-02-0.391D-01-0.195D-01 0.301D+00 0.756D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.69D-05 MaxDP=7.39D-04 DE=-6.43D-06 OVMax= 3.00D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.30D-05    CP:  1.17D+00  1.12D+00  1.14D+00  1.13D+00  9.57D-01
 E= -385.710539985281     Delta-E=       -0.000001290749 Rises=F Damp=F
 DIIS: error= 9.00D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.710539985281     IErMin= 6 ErrMin= 9.00D-06
 ErrMax= 9.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-08 BMatP= 1.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.918D-03-0.119D-01-0.106D-01 0.289D-01 0.190D+00 0.803D+00
 Coeff:      0.918D-03-0.119D-01-0.106D-01 0.289D-01 0.190D+00 0.803D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=6.12D-06 MaxDP=1.61D-04 DE=-1.29D-06 OVMax= 8.97D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.93D-06    CP:  1.17D+00  1.12D+00  1.15D+00  1.13D+00  1.00D+00
                    CP:  1.00D+00
 E= -385.710540045763     Delta-E=       -0.000000060482 Rises=F Damp=F
 DIIS: error= 3.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.710540045763     IErMin= 7 ErrMin= 3.07D-06
 ErrMax= 3.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.90D-09 BMatP= 4.52D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.276D-03-0.169D-02-0.253D-02-0.150D-01 0.101D-01 0.304D+00
 Coeff-Com:  0.705D+00
 Coeff:      0.276D-03-0.169D-02-0.253D-02-0.150D-01 0.101D-01 0.304D+00
 Coeff:      0.705D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.45D-06 MaxDP=6.08D-05 DE=-6.05D-08 OVMax= 5.36D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.36D-06    CP:  1.17D+00  1.12D+00  1.14D+00  1.13D+00  1.01D+00
                    CP:  1.06D+00  9.42D-01
 E= -385.710540057646     Delta-E=       -0.000000011883 Rises=F Damp=F
 DIIS: error= 1.09D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.710540057646     IErMin= 8 ErrMin= 1.09D-06
 ErrMax= 1.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-09 BMatP= 8.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-03 0.199D-02 0.158D-02-0.117D-01-0.362D-01-0.658D-01
 Coeff-Com:  0.249D+00 0.861D+00
 Coeff:     -0.101D-03 0.199D-02 0.158D-02-0.117D-01-0.362D-01-0.658D-01
 Coeff:      0.249D+00 0.861D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=9.34D-07 MaxDP=2.07D-05 DE=-1.19D-08 OVMax= 1.89D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.97D-07    CP:  1.17D+00  1.12D+00  1.14D+00  1.13D+00  1.02D+00
                    CP:  1.07D+00  1.02D+00  9.56D-01
 E= -385.710540059600     Delta-E=       -0.000000001954 Rises=F Damp=F
 DIIS: error= 1.61D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.710540059600     IErMin= 9 ErrMin= 1.61D-07
 ErrMax= 1.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-11 BMatP= 1.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.323D-04 0.501D-03 0.434D-03-0.208D-02-0.842D-02-0.252D-01
 Coeff-Com:  0.330D-01 0.184D+00 0.818D+00
 Coeff:     -0.323D-04 0.501D-03 0.434D-03-0.208D-02-0.842D-02-0.252D-01
 Coeff:      0.330D-01 0.184D+00 0.818D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.43D-07 MaxDP=4.24D-06 DE=-1.95D-09 OVMax= 2.78D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  1.17D+00  1.12D+00  1.14D+00  1.13D+00  1.02D+00
                    CP:  1.07D+00  1.02D+00  9.88D-01  1.06D+00
 E= -385.710540059647     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.710540059647     IErMin=10 ErrMin= 1.28D-07
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-12 BMatP= 3.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.360D-05-0.121D-03-0.899D-04 0.105D-02 0.244D-02 0.587D-03
 Coeff-Com: -0.244D-01-0.670D-01 0.303D+00 0.785D+00
 Coeff:      0.360D-05-0.121D-03-0.899D-04 0.105D-02 0.244D-02 0.587D-03
 Coeff:     -0.244D-01-0.670D-01 0.303D+00 0.785D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.97D-08 MaxDP=1.67D-06 DE=-4.68D-11 OVMax= 1.42D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.02D-08    CP:  1.17D+00  1.12D+00  1.14D+00  1.13D+00  1.02D+00
                    CP:  1.07D+00  1.02D+00  1.00D+00  1.11D+00  8.93D-01
 E= -385.710540059648     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.22D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.710540059648     IErMin=11 ErrMin= 2.22D-08
 ErrMax= 2.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-13 BMatP= 7.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-05-0.458D-04-0.413D-04 0.274D-03 0.824D-03 0.159D-02
 Coeff-Com: -0.389D-02-0.207D-01-0.291D-01 0.120D+00 0.931D+00
 Coeff:      0.245D-05-0.458D-04-0.413D-04 0.274D-03 0.824D-03 0.159D-02
 Coeff:     -0.389D-02-0.207D-01-0.291D-01 0.120D+00 0.931D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=3.72D-07 DE=-1.14D-12 OVMax= 4.54D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.49D-09    CP:  1.17D+00  1.12D+00  1.14D+00  1.13D+00  1.02D+00
                    CP:  1.07D+00  1.02D+00  9.98D-01  1.11D+00  9.40D-01
                    CP:  1.10D+00
 E= -385.710540059654     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 7.99D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.710540059654     IErMin=12 ErrMin= 7.99D-09
 ErrMax= 7.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.14D-14 BMatP= 3.41D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.248D-06 0.207D-05-0.149D-05-0.482D-04-0.799D-04 0.275D-03
 Coeff-Com:  0.208D-02 0.231D-02-0.467D-01-0.518D-01 0.219D+00 0.875D+00
 Coeff:      0.248D-06 0.207D-05-0.149D-05-0.482D-04-0.799D-04 0.275D-03
 Coeff:      0.208D-02 0.231D-02-0.467D-01-0.518D-01 0.219D+00 0.875D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.79D-09 MaxDP=1.61D-07 DE=-5.34D-12 OVMax= 2.19D-07

 SCF Done:  E(RwB97XD) =  -385.710540060     A.U. after   12 cycles
            NFock= 12  Conv=0.58D-08     -V/T= 2.0113
 KE= 3.814062708686D+02 PE=-1.744489110942D+03 EE= 5.524997386842D+02
 Leave Link  502 at Thu Aug 12 22:30:37 2021, MaxMem=  5368709120 cpu:             425.0 elap:              53.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.69736602D+02

 Leave Link  801 at Thu Aug 12 22:30:37 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 3.93D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.96D-01 7.62D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 3.49D-02 5.89D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.62D-03 1.38D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 2.53D-04 2.80D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 1.25D-05 3.88D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 4.06D-07 1.00D-04.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 8.05D-09 1.44D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.66D-10 2.02D-06.
     10 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 3.06D-12 2.74D-07.
      6 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 5.18D-14 3.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.126569D+03
      2  0.874075D+00  0.102226D+03
      3 -0.148567D+01  0.560187D+01  0.720247D+02
 Isotropic polarizability for W=    0.085645      100.27 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.917873D+02 -0.401003D+01  0.757808D+01
      2   0.312398D+02  0.102955D+02  0.691318D+01
      3   0.605476D+02 -0.628545D+01 -0.144913D+02
      4   0.146939D+02 -0.802282D+02 -0.255427D+02
      5  -0.168402D+02 -0.262485D+02  0.233221D+02
      6  -0.108541D+02 -0.143376D+02  0.937660D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.321522D+00 -0.798579D+01 -0.231849D+01
      2   0.116419D+02 -0.100468D+02  0.743631D+01
      3   0.180406D+01  0.404395D+02  0.954194D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.705777D+00 -0.212508D+02 -0.156620D+02
      2   0.244182D+02 -0.146886D+02 -0.372255D+02
      3   0.187040D+02  0.111468D+03  0.153944D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.428871D+00 -0.518111D+00  0.508846D+00
      2  -0.518111D+00  0.125958D+01 -0.268865D+01
      3   0.508846D+00 -0.268865D+01 -0.101404D+01
 OR G Eigenvalues:    -2.8046    -0.5614     3.1828  Iso=     0.0611
 Eigenvectors:
   (1)  -0.060119   0.545397   0.836019
   (2)   0.979189   0.194865  -0.056710
   (3)  -0.193840   0.815211  -0.545762
 w=    0.085645 a.u., Optical Rotation Beta=      0.0611 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       23.72 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 5.00D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.79D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.81D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 4.29D-02 4.66D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 1.57D-03 9.10D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 1.93D-05 9.76D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 2.82D-07 9.99D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 4.46D-09 7.44D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 4.69D-11 9.01D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 3.91D-13 1.07D-07.
      6 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 3.32D-15 9.09D-09.
      1 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.19D-15 5.86D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.95D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.95D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.11D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126569D+03  0.874075D+00 -0.148567D+01
      2   0.874075D+00  0.102226D+03  0.560187D+01
      3  -0.148567D+01  0.560187D+01  0.720247D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.321522D+00 -0.798579D+01 -0.231849D+01
      2   0.116419D+02 -0.100468D+02  0.743631D+01
      3   0.180406D+01  0.404395D+02  0.954194D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.917873D+02 -0.401003D+01  0.757808D+01
      2   0.312398D+02  0.102955D+02  0.691318D+01
      3   0.605476D+02 -0.628545D+01 -0.144913D+02
      4   0.146939D+02 -0.802282D+02 -0.255427D+02
      5  -0.168402D+02 -0.262485D+02  0.233221D+02
      6  -0.108541D+02 -0.143376D+02  0.937660D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.544179D+01 -0.987359D+00  0.231341D+01 -0.239857D+01  0.196876D+01
      2  -0.987359D+00  0.841856D+00 -0.366628D+00  0.196876D+01 -0.297361D+01
      3   0.231341D+01 -0.366628D+00  0.276297D+01 -0.112054D+01  0.131057D-01
                 6             7             8             9            10 
      1  -0.112054D+01  0.545579D+01 -0.965160D+00  0.374478D+01 -0.364465D+01
      2   0.131057D-01 -0.965160D+00 -0.104108D+01 -0.305555D+01  0.262464D-01
      3  -0.335625D+01  0.374478D+01 -0.305555D+01  0.310522D+01 -0.634374D+00
                11            12            13            14            15 
      1   0.262464D-01 -0.634374D+00 -0.610341D+00 -0.223143D+01  0.177506D+01
      2  -0.772127D+00  0.137124D+01 -0.223143D+01  0.371928D+01  0.292809D+01
      3   0.137124D+01 -0.245149D+01  0.177506D+01  0.292809D+01  0.336859D+00
                16            17            18            19            20 
      1  -0.393012D+01  0.189238D+01 -0.510102D+01 -0.580774D+00  0.433408D+00
      2   0.189238D+01  0.314398D+01  0.164801D+01  0.433408D+00 -0.431498D+00
      3  -0.510102D+01  0.164801D+01 -0.190704D+01  0.897266D-01 -0.399585D+00
                21            22            23            24            25 
      1   0.897266D-01  0.191526D+01 -0.878625D-01  0.338739D+00  0.148719D+01
      2  -0.399585D+00 -0.878625D-01  0.209881D+01  0.176116D+01 -0.179599D+00
      3  -0.122987D+01  0.338739D+00  0.176116D+01  0.299287D+01  0.363265D+00
                26            27            28            29            30 
      1  -0.179599D+00  0.363265D+00  0.322913D+00 -0.118799D+01 -0.679703D+00
      2   0.173980D+01  0.123460D+01 -0.118799D+01  0.112533D+01  0.186027D+00
      3   0.123460D+01  0.394487D+01 -0.679703D+00  0.186027D+00  0.751860D+00
                31            32            33            34            35 
      1  -0.248855D+01  0.184639D+01  0.352016D+00 -0.942994D+00  0.381957D+00
      2   0.184639D+01 -0.590806D+01 -0.177312D+01  0.381957D+00 -0.213393D+01
      3   0.352016D+00 -0.177312D+01 -0.179349D+01  0.111672D+01 -0.159998D+01
                36            37            38            39            40 
      1   0.111672D+01 -0.831242D+01  0.200793D+01  0.204641D+00  0.438714D+01
      2  -0.159998D+01  0.200793D+01  0.110900D+01 -0.108621D+01  0.126970D+01
      3  -0.143866D+01  0.204641D+00 -0.108621D+01  0.293784D+01 -0.147000D+01
                41            42            43            44            45 
      1   0.126970D+01 -0.147000D+01 -0.107164D+01 -0.139700D+01  0.259167D+01
      2  -0.330480D+01 -0.284742D+01 -0.139700D+01 -0.275225D+01 -0.615044D+00
      3  -0.284742D+01 -0.187206D+00  0.259167D+01 -0.615044D+00  0.461085D+01
                46            47            48            49            50 
      1   0.165534D+02 -0.172991D+01  0.813429D+00 -0.311633D+01 -0.142775D+01
      2  -0.172991D+01  0.264680D+01  0.400067D-01 -0.142775D+01 -0.565702D+00
      3   0.813429D+00  0.400067D-01  0.201476D+01 -0.156459D+01 -0.382547D+00
                51            52            53            54            55 
      1  -0.156459D+01 -0.101403D+01 -0.104079D+01  0.388890D+01  0.118358D+01
      2  -0.382547D+00 -0.104079D+01 -0.335608D+00 -0.363401D+00  0.404054D+00
      3  -0.159789D+00  0.388890D+01 -0.363401D+00 -0.356351D+00  0.157045D+00
                56            57            58            59            60 
      1   0.404054D+00  0.157045D+00  0.171371D+01  0.897791D+00 -0.158113D-01
      2  -0.840624D-01  0.266183D+00  0.897791D+00  0.610291D+01  0.997229D+00
      3   0.266183D+00 -0.265151D+00 -0.158113D-01  0.997229D+00  0.164511D+01
                61            62            63            64            65 
      1   0.106360D+01  0.598783D+00 -0.837729D-01  0.348660D-01 -0.106758D+00
      2   0.598783D+00  0.204676D+01  0.113944D+01 -0.106758D+00 -0.510111D+00
      3  -0.837729D-01  0.113944D+01  0.587776D+00 -0.910839D+00  0.355137D+00
                66            67            68            69            70 
      1  -0.910839D+00 -0.445306D+00 -0.709004D-01  0.124011D+00 -0.177619D+01
      2   0.355137D+00 -0.709004D-01  0.708979D+00 -0.865673D+00 -0.180606D+00
      3  -0.191285D+01  0.124011D+00 -0.865673D+00  0.598935D+00  0.751063D-01
                71            72            73            74            75 
      1  -0.180606D+00  0.751063D-01  0.127303D+02 -0.458089D+00 -0.146090D+01
      2  -0.122041D+01  0.122355D+01 -0.458089D+00  0.114158D+01 -0.311320D-01
      3   0.122355D+01 -0.847831D+01 -0.146090D+01 -0.311320D-01  0.128631D+01
                76            77            78            79            80 
      1  -0.236787D+01  0.101891D+01  0.499529D+00 -0.652442D-01  0.147105D+00
      2   0.101891D+01 -0.312164D+00  0.172887D+00  0.147105D+00  0.338335D+00
      3   0.499529D+00  0.172887D+00 -0.482154D+00  0.105857D+01 -0.747458D-02
                81            82            83            84            85 
      1   0.105857D+01 -0.490983D+01  0.251428D+01  0.814050D-01 -0.610862D+01
      2  -0.747458D-02  0.251428D+01  0.244767D+01  0.285046D+00  0.377370D+00
      3  -0.707011D+00  0.814050D-01  0.285046D+00  0.816996D+00 -0.273302D+00
                86            87            88            89            90 
      1   0.377370D+00 -0.273302D+00 -0.113759D+01 -0.502710D+00  0.102353D+01
      2  -0.178757D+01  0.759902D+00 -0.502710D+00  0.115374D+01 -0.382468D+01
      3   0.759902D+00 -0.164159D+01  0.102353D+01 -0.382468D+01 -0.221667D+01
                91            92            93            94            95 
      1   0.201280D+01 -0.733292D+00  0.886802D-01 -0.542907D+01  0.731380D+00
      2  -0.733292D+00 -0.311613D+01 -0.682432D+00  0.731380D+00 -0.664717D+00
      3   0.886802D-01 -0.682432D+00 -0.144149D+01  0.618498D+00  0.100860D+01
                96            97            98            99           100 
      1   0.618498D+00 -0.112084D+01  0.625645D+00 -0.294148D+01 -0.569857D+01
      2   0.100860D+01  0.625645D+00  0.132905D+01 -0.311951D+01  0.156839D+00
      3  -0.132188D+01 -0.294148D+01 -0.311951D+01 -0.139722D+01 -0.209979D+00
               101           102           103           104           105 
      1   0.156839D+00 -0.209979D+00  0.672062D+00  0.487333D+00  0.134103D+01
      2  -0.327434D+01 -0.211627D+00  0.487333D+00 -0.211337D+00 -0.507287D+00
      3  -0.211627D+00 -0.226363D+01  0.134103D+01 -0.507287D+00  0.142855D+00
               106           107           108           109           110 
      1  -0.358589D-01  0.116276D+01 -0.526115D+01  0.395252D+01 -0.515788D+00
      2   0.116276D+01 -0.142404D+00  0.432442D+00 -0.515788D+00 -0.200727D+01
      3  -0.526115D+01  0.432442D+00  0.529738D+00 -0.153147D+00  0.907983D-01
               111           112           113           114           115 
      1  -0.153147D+00  0.496233D+01 -0.292317D+00  0.284822D+00  0.116028D+01
      2   0.907983D-01 -0.292317D+00  0.156302D+01 -0.771272D+00  0.440462D+00
      3  -0.901201D+00  0.284822D+00 -0.771272D+00  0.157653D+01 -0.184324D+01
               116           117           118           119           120 
      1   0.440462D+00 -0.184324D+01 -0.422167D+01 -0.503506D+00  0.784679D-02
      2  -0.109080D+01  0.378892D+01 -0.503506D+00  0.337044D+01  0.523003D+00
      3   0.378892D+01  0.223006D+01  0.784679D-02  0.523003D+00  0.138940D+01
               121           122           123           124           125 
      1   0.818336D+01  0.291415D+00  0.145415D+00  0.182915D+01 -0.121973D-01
      2   0.291415D+00  0.125601D+01 -0.578052D+00 -0.121973D-01 -0.106764D+01
      3   0.145415D+00 -0.578052D+00  0.152610D+01  0.198895D+01  0.316930D+01
               126           127           128           129           130 
      1   0.198895D+01  0.153933D+01 -0.174720D+01 -0.381457D+00 -0.153955D+01
      2   0.316930D+01 -0.174720D+01  0.223030D+01  0.437870D+00  0.198238D+01
      3   0.144459D+01 -0.381457D+00  0.437870D+00  0.325834D+00  0.420221D+00
               131           132           133           134           135 
      1   0.198238D+01  0.420221D+00 -0.414528D+00  0.457916D+00 -0.801154D-02
      2  -0.850058D+01 -0.147607D+01  0.457916D+00 -0.157600D+01 -0.360384D+00
      3  -0.147607D+01 -0.119735D+01 -0.801154D-02 -0.360384D+00 -0.223360D+00
               136           137           138           139           140 
      1  -0.484662D+01 -0.374286D+01 -0.626620D+00 -0.366747D+01 -0.430674D+01
      2  -0.374286D+01 -0.345089D+01 -0.468298D+00 -0.430674D+01 -0.645763D+01
      3  -0.626620D+00 -0.468298D+00 -0.678236D+00 -0.753813D+00 -0.970345D+00
               141           142           143           144           145 
      1  -0.753813D+00 -0.585524D+00 -0.705447D+00 -0.186115D+00 -0.127286D+02
      2  -0.970345D+00 -0.705447D+00 -0.115826D+01 -0.237133D+00  0.129669D+01
      3  -0.968465D+00 -0.186115D+00 -0.237133D+00 -0.178684D+00  0.575305D+00
               146           147           148           149           150 
      1   0.129669D+01  0.575305D+00  0.135761D+01 -0.165373D+01 -0.345707D+00
      2  -0.927993D+00 -0.186791D-01 -0.165373D+01  0.486379D+00  0.974426D-01
      3  -0.186791D-01 -0.101587D+01 -0.345707D+00  0.974426D-01  0.160250D+00
               151           152           153           154           155 
      1   0.529884D+00 -0.367951D+00 -0.746567D-01 -0.218941D+01  0.251934D+01
      2  -0.367951D+00  0.969418D-01  0.379643D-01  0.251934D+01 -0.271108D+01
      3  -0.746567D-01  0.379643D-01  0.893076D-01  0.547886D+00 -0.514132D+00
               156           157           158           159           160 
      1   0.547886D+00  0.224598D+01 -0.360639D+01 -0.734955D+00  0.486099D+00
      2  -0.514132D+00 -0.360639D+01  0.911358D+01  0.166684D+01 -0.725388D+00
      3  -0.464594D+00 -0.734955D+00  0.166684D+01  0.125243D+01 -0.165939D+00
               161           162           163           164           165 
      1  -0.725388D+00 -0.165939D+00  0.336103D+01  0.235396D+01  0.177645D+00
      2   0.174507D+01  0.392246D+00  0.235396D+01  0.237253D+01  0.223410D+00
      3   0.392246D+00  0.259452D+00  0.177645D+00  0.223410D+00  0.338398D+00
               166           167           168           169           170 
      1   0.273423D+01  0.280570D+01  0.379383D+00  0.825623D-01  0.369838D+00
      2   0.280570D+01  0.563719D+01  0.766534D+00  0.369838D+00  0.924713D+00
      3   0.379383D+00  0.766534D+00  0.876230D+00 -0.186119D+00  0.116687D+00
               171 
      1  -0.186119D+00
      2   0.116687D+00
      3   0.101430D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.572189D+00  0.387577D+01  0.158411D+01  0.772204D+00 -0.556530D+01
      2   0.135907D+01  0.816208D+00  0.118851D+02  0.268577D+01 -0.238978D+01
      3  -0.828886D+00 -0.804024D+01 -0.163722D+01 -0.376510D+01  0.638749D+01
                 6             7             8             9            10 
      1  -0.757959D+01  0.258483D+01  0.345731D+00  0.523525D-01  0.283899D-01
      2  -0.785738D+01  0.561336D+01 -0.770279D+01  0.515469D+01 -0.442319D+00
      3   0.181403D+01 -0.342412D+01  0.222297D+01  0.540176D+01  0.411817D+01
                11            12            13            14            15 
      1   0.425064D+00 -0.316929D-01  0.107828D+01  0.988791D+00 -0.334565D+01
      2   0.897099D+00 -0.326385D+01  0.113517D+01  0.529822D+01  0.138704D+01
      3   0.246261D+01 -0.322130D+00  0.121161D+02 -0.703569D+01 -0.754496D+01
                16            17            18            19            20 
      1  -0.190535D+01  0.709699D+00 -0.151885D+01  0.207042D+01 -0.198542D+01
      2  -0.147449D+02  0.469324D+01 -0.533363D+01  0.390658D+01 -0.199492D+01
      3   0.314743D+00 -0.873264D+01 -0.141224D+01 -0.243439D+01  0.204705D+01
                21            22            23            24            25 
      1  -0.911613D+00 -0.147150D+01  0.579461D+01  0.350656D+01 -0.491495D+00
      2  -0.283288D+01 -0.293194D+01  0.498989D+01  0.726451D+01 -0.169112D+01
      3   0.101634D+01  0.337163D+01 -0.484201D+01 -0.456108D+01  0.230463D+00
                26            27            28            29            30 
      1   0.438068D+01  0.432107D+01  0.459220D-01 -0.538551D+00  0.704596D+00
      2   0.350098D+01  0.873822D+01 -0.154601D+01  0.231706D+00  0.194584D+01
      3  -0.335036D+01 -0.374910D+01  0.318776D+01 -0.275707D+01 -0.129754D+00
                31            32            33            34            35 
      1  -0.751124D-01  0.137899D+01 -0.259611D+01  0.781205D+00  0.114754D+01
      2  -0.522872D+00 -0.315979D+01 -0.373081D+01  0.258614D+00 -0.284167D+01
      3   0.140308D+01  0.116668D+02  0.366495D+01  0.736235D+00  0.471995D+01
                36            37            38            39            40 
      1  -0.789110D+00 -0.259540D+01 -0.159477D+01 -0.118833D+01  0.219165D-01
      2  -0.219741D+01 -0.695899D+01 -0.583790D+00  0.103734D+02 -0.163842D+00
      3   0.272222D+01 -0.142742D+02 -0.591189D+01  0.367789D+01 -0.348964D+00
                41            42            43            44            45 
      1   0.568626D+01  0.170229D+01  0.790026D+00  0.614753D+01 -0.451176D+01
      2  -0.634440D+01 -0.253607D+01  0.276704D+01 -0.353944D+01  0.162982D+02
      3   0.121552D+02  0.803720D+01  0.320182D+01  0.822420D+01  0.317989D+01
                46            47            48            49            50 
      1   0.550627D+00  0.169595D+00  0.184827D+00  0.775378D+00 -0.211844D+01
      2   0.215954D+01 -0.142353D+01 -0.902230D+00 -0.112843D+01 -0.874492D+00
      3  -0.151339D+01  0.495382D+01  0.849548D+00  0.160942D+02 -0.133500D+01
                51            52            53            54            55 
      1   0.115641D+01  0.117218D+01  0.102289D+02  0.180212D+01 -0.568205D+00
      2   0.296218D+00 -0.146804D+02 -0.242719D+00 -0.935086D+00  0.909508D+00
      3   0.217053D+01  0.485277D+00  0.327250D+00 -0.105679D+01 -0.119138D+01
                56            57            58            59            60 
      1  -0.835611D-01  0.533724D-01 -0.162291D+00 -0.758548D+01 -0.510852D+01
      2   0.845421D+00 -0.102634D+00  0.687219D+00  0.363362D+01  0.444735D+01
      3   0.656079D+00 -0.491432D+00  0.262910D+01 -0.175692D+02 -0.397068D+01
                61            62            63            64            65 
      1  -0.412811D+00 -0.186840D+01 -0.226888D+01  0.762625D+00  0.117641D+01
      2  -0.926005D+00  0.307159D+01  0.162094D+01 -0.370435D+01  0.498688D+00
      3   0.600870D+00 -0.613295D+01 -0.357408D+01 -0.299702D-02  0.889721D+00
                66            67            68            69            70 
      1   0.120280D+01  0.502083D+00 -0.426713D+00 -0.601704D+00  0.627914D+00
      2  -0.519014D+01 -0.115176D+00 -0.208667D+01  0.180450D+01 -0.482754D+01
      3  -0.139557D+01  0.148613D+01 -0.184098D+01  0.202633D+01 -0.132990D+01
                71            72            73            74            75 
      1   0.280841D+01  0.493958D+01  0.140308D+01 -0.165633D+01 -0.656090D+00
      2   0.287730D+01 -0.215731D+02  0.768585D+01 -0.589263D+00  0.502427D+01
      3   0.277827D+01 -0.383308D+01  0.912958D+01 -0.690199D+01 -0.791495D+00
                76            77            78            79            80 
      1  -0.112897D+01  0.196260D+00 -0.792108D+00 -0.612069D+00  0.236103D+00
      2  -0.666693D+00  0.148367D+01 -0.126980D+01  0.131829D+01  0.649530D-01
      3  -0.310005D+01  0.123512D+01 -0.789078D+00 -0.705334D+00 -0.875414D+00
                81            82            83            84            85 
      1   0.176384D+00 -0.842409D+00 -0.708271D+00  0.987235D+00 -0.119924D+01
      2  -0.115971D+01 -0.270982D+01  0.150843D+01 -0.566697D+00  0.143750D+01
      3   0.423949D+00  0.518088D+01 -0.473696D+01 -0.148383D+01  0.382094D+01
                86            87            88            89            90 
      1   0.322087D+00 -0.228170D+01  0.416001D+01  0.669860D+00 -0.409309D+00
      2   0.103331D+01  0.141852D+01 -0.130459D+02  0.168160D+01  0.256802D+01
      3  -0.607219D+01 -0.618401D+00 -0.182488D+01  0.345488D+00 -0.516290D+01
                91            92            93            94            95 
      1   0.440398D-01  0.262879D+00 -0.162919D+01  0.118408D+01 -0.139532D+00
      2   0.107583D+01  0.125616D+01  0.239753D+01 -0.115391D+01 -0.257996D+01
      3  -0.382005D+01 -0.978714D+01 -0.150431D+01  0.609257D+01 -0.663251D+00
                96            97            98            99           100 
      1  -0.158978D+01 -0.641409D+01  0.391807D+01  0.910719D+00  0.901301D-01
      2   0.386344D+01 -0.316353D+01  0.994556D+01  0.331258D+01 -0.874533D+00
      3   0.174109D+01  0.858070D+00  0.267378D+01 -0.430024D+01  0.232163D+01
               101           102           103           104           105 
      1   0.252174D+00  0.673068D+00  0.104073D+00 -0.283722D+01  0.102376D+01
      2  -0.124391D+00  0.570529D+01 -0.406109D+01 -0.203804D+00 -0.928949D+00
      3  -0.613732D+01 -0.720783D-01  0.119573D+02  0.153058D+01 -0.504572D+00
               106           107           108           109           110 
      1   0.195372D+01  0.110570D+02  0.245204D+01  0.487933D+00 -0.213311D+00
      2   0.706466D+01 -0.232632D+01 -0.121145D+01  0.155440D+01  0.260441D+01
      3   0.353617D+01 -0.279648D+00  0.920442D+00 -0.226868D+01 -0.132070D+02
               111           112           113           114           115 
      1   0.166053D+01 -0.111187D+01  0.298975D+00 -0.238768D+01  0.520165D+01
      2   0.138466D+01  0.133433D+01  0.259169D+01 -0.353860D+01 -0.781122D+01
      3  -0.236039D+01  0.353089D+01  0.731706D+00 -0.166396D+01 -0.208244D+00
               116           117           118           119           120 
      1   0.621758D+00 -0.965612D+00 -0.141242D+01 -0.771776D-01 -0.219359D+01
      2  -0.900088D+01 -0.388113D+01 -0.139005D+01  0.301138D+00 -0.133602D+01
      3  -0.273022D+01  0.442231D+01 -0.145339D+01 -0.356137D-02  0.100171D+01
               121           122           123           124           125 
      1   0.905689D+00 -0.508139D+00 -0.190682D+01 -0.713753D+01  0.302771D+01
      2   0.329009D+01 -0.677511D+00 -0.107835D+01 -0.124095D+02 -0.541620D+00
      3   0.179387D+01  0.558881D+01 -0.443557D+00 -0.167103D+01  0.432302D+00
               126           127           128           129           130 
      1  -0.508583D-01  0.215427D-01 -0.244841D+00  0.148332D+01  0.193136D-01
      2  -0.445867D+00  0.122251D+01 -0.884243D+00  0.101366D+00 -0.118966D+01
      3   0.621004D+01 -0.571589D+01  0.370875D+01  0.943444D+00  0.670744D+01
               131           132           133           134           135 
      1   0.746681D+00 -0.409691D+01 -0.479307D+00  0.207307D+01 -0.343741D+00
      2   0.180322D+01 -0.120355D+00 -0.157565D+01  0.377722D+00 -0.101542D+00
      3  -0.851816D+01 -0.189755D+01  0.129608D+01 -0.152954D+01 -0.714619D-01
               136           137           138           139           140 
      1   0.179375D+00  0.547339D+00 -0.223907D+01 -0.106354D+00  0.450020D+00
      2  -0.302981D-01  0.648613D-01  0.290742D+01  0.687367D+00  0.132706D+01
      3  -0.142313D+01 -0.463802D+01 -0.252438D+00 -0.340535D+01 -0.107945D+02
               141           142           143           144           145 
      1  -0.319564D+01  0.841810D+00  0.146369D+01 -0.352738D+00 -0.101932D+00
      2   0.353493D+01 -0.827347D+00 -0.459895D+00  0.384142D+00 -0.856036D+00
      3  -0.127102D+01 -0.715532D+00 -0.204612D+01 -0.271641D+00  0.551536D+00
               146           147           148           149           150 
      1  -0.207770D+00  0.656254D+00  0.483134D-01 -0.309393D-02 -0.392131D+00
      2  -0.963364D-01  0.623732D+01  0.131413D+01 -0.287769D+00 -0.903343D+00
      3  -0.527905D+01  0.177166D+00 -0.377616D+01  0.151458D+01  0.230260D+00
               151           152           153           154           155 
      1  -0.354600D+00  0.462165D+00  0.665973D-02 -0.173746D+00 -0.135709D+00
      2  -0.247073D+01  0.113126D+00 -0.254213D+00 -0.275165D+00  0.374070D+00
      3  -0.135308D+01  0.482679D+00  0.373116D-01  0.669313D+00 -0.232607D+01
               156           157           158           159           160 
      1   0.161358D+01  0.247423D+00  0.301007D+00 -0.437161D+01 -0.609875D+00
      2   0.151759D+01  0.410590D+00 -0.235801D+01 -0.323667D+01 -0.464114D+00
      3  -0.222280D+00 -0.110608D+01  0.131927D+02  0.214744D+01 -0.298409D+00
               161           162           163           164           165 
      1   0.183710D+01 -0.537019D+00  0.582221D+00  0.736479D+00 -0.195413D+01
      2   0.130235D+00 -0.595409D+00 -0.182952D+01 -0.900141D+00  0.728369D+00
      3   0.265539D+01  0.453233D+00  0.933358D+01  0.389140D+01  0.197152D+00
               166           167           168           169           170 
      1   0.340378D+00  0.218668D+00 -0.315686D+01  0.737746D+00  0.185025D+01
      2  -0.104854D+01 -0.119848D+01  0.118383D+01 -0.166751D+01 -0.236073D+00
      3   0.778193D+01  0.510305D+01  0.691200D+00  0.270812D+00  0.814623D+00
               171 
      1  -0.113364D+00
      2   0.353564D+00
      3  -0.339634D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204724D+02 -0.298750D+01  0.170437D+01 -0.343839D+01  0.449528D+01
      2  -0.140775D+02 -0.423512D+00 -0.728016D+01  0.962980D+00  0.439366D+01
      3  -0.639487D+01  0.341102D+01  0.557579D+01  0.247541D+01 -0.888894D+01
      4  -0.524868D+01  0.136185D+02 -0.247996D+01  0.159327D+02 -0.149875D+02
      5   0.155484D+02 -0.308969D+01  0.213303D+02 -0.760728D+01  0.275150D+01
      6  -0.446698D+01  0.523793D+01 -0.106851D+01  0.479719D+01 -0.989457D+01
                 6             7             8             9            10 
      1   0.766406D+01  0.393014D+01  0.505768D+01  0.215129D+00  0.638135D+01
      2   0.403264D+01 -0.125522D+02  0.330407D+01 -0.117736D+02 -0.248628D+01
      3  -0.116967D+02  0.862202D+01 -0.836175D+01  0.115585D+02 -0.389507D+01
      4   0.709254D+00 -0.550230D+01 -0.153934D+01 -0.140946D+02 -0.269032D+01
      5  -0.131899D+02  0.291960D+02 -0.120400D+02  0.214495D+02 -0.559030D+01
      6   0.302296D+01 -0.449812D+01  0.675659D+01 -0.124719D+02  0.347420D+01
                11            12            13            14            15 
      1  -0.326682D+01  0.136750D+01 -0.901235D+01  0.113204D+01  0.561540D+01
      2   0.149411D+01  0.156705D+01  0.701735D+01 -0.590692D+01 -0.943859D+01
      3   0.177272D+01 -0.293455D+01  0.199500D+01  0.477488D+01  0.382319D+01
      4  -0.116233D+02  0.582247D+01 -0.131277D+02  0.168234D+02  0.143063D+02
      5   0.610700D+01 -0.162390D+02  0.120461D+02  0.136970D+02  0.417082D+00
      6   0.162658D+01  0.722592D+00  0.537585D+01 -0.559335D+01 -0.543648D+01
                16            17            18            19            20 
      1  -0.267623D+01  0.505893D+01 -0.532593D+01 -0.106635D+01  0.223746D+01
      2   0.896764D+01 -0.544949D+01  0.739905D+01  0.500879D-01  0.244962D+00
      3  -0.629142D+01  0.390565D+00 -0.207311D+01  0.101626D+01 -0.248242D+01
      4   0.117585D+02  0.139017D+02  0.661240D+01  0.161466D+01 -0.299987D+01
      5  -0.332673D+02  0.585407D+01 -0.101861D+02  0.769779D+00 -0.405718D+00
      6   0.375562D+01 -0.104276D+02  0.480607D+01  0.150238D+01 -0.191342D+01
                21            22            23            24            25 
      1   0.550233D+01  0.454838D+01 -0.633121D+01 -0.624023D+01  0.447764D+01
      2   0.706040D+00 -0.271696D+01 -0.388567D+00 -0.387566D+01 -0.249183D+01
      3  -0.620837D+01 -0.183142D+01  0.671978D+01  0.101159D+02 -0.198582D+01
      4  -0.162432D+01 -0.350016D+00  0.881543D+01  0.736001D+01 -0.130403D+01
      5  -0.251403D+01  0.348244D+01  0.556317D+01  0.106061D+02  0.464360D+01
      6  -0.132453D+01 -0.546853D+00  0.691537D+01  0.772864D+01 -0.835413D+00
                26            27            28            29            30 
      1  -0.370744D+01 -0.876037D+01  0.231600D+01 -0.310928D+01 -0.168270D+01
      2  -0.265624D+01 -0.614096D+01  0.152819D+01  0.379005D+00  0.442795D+00
      3   0.636368D+01  0.149013D+02 -0.384420D+01  0.273027D+01  0.123991D+01
      4   0.655777D+01  0.530410D+01 -0.743916D+01  0.101532D+02  0.206846D+01
      5   0.396266D+01  0.125484D+02 -0.343661D+01  0.196175D+01  0.535542D+01
      6   0.598985D+01  0.438415D+01  0.276002D+01 -0.178721D+01 -0.856172D+00
                31            32            33            34            35 
      1  -0.248857D+01 -0.952346D+01 -0.325117D+01 -0.146449D+01 -0.406697D+01
      2  -0.170709D+01  0.182227D+02  0.478486D+01  0.866587D-01  0.358259D+01
      3   0.419566D+01 -0.869926D+01 -0.153368D+01  0.137783D+01  0.484383D+00
      4   0.124198D+02 -0.262930D+02 -0.796264D+01  0.293166D+01 -0.962568D+01
      5   0.284305D+01 -0.716417D+01 -0.740881D+01  0.690715D+01 -0.624018D+01
      6  -0.294523D+01  0.103820D+02  0.768003D+01 -0.259348D+01  0.882201D+01
                36            37            38            39            40 
      1  -0.321125D+01 -0.520246D+02  0.722910D+01  0.992067D+01  0.168375D+02
      2   0.113171D+01  0.306805D+02 -0.259263D+01  0.927437D+00 -0.104387D+02
      3   0.207954D+01  0.213441D+02 -0.463647D+01 -0.108481D+02 -0.639872D+01
      4  -0.706955D+01  0.840337D+01  0.954806D+01 -0.444437D+01  0.989803D+01
      5  -0.568166D+01  0.116826D+02 -0.695262D+01  0.138889D+02 -0.125028D+02
      6   0.626895D+01 -0.488145D+01 -0.364498D+01  0.551330D+01 -0.488341D+01
                41            42            43            44            45 
      1   0.738094D+01 -0.397153D+01  0.994428D+00 -0.234762D+01  0.239974D+02
      2  -0.148184D+02 -0.313924D+01  0.170534D+01 -0.634223D+01  0.650795D+00
      3   0.743749D+01  0.711077D+01 -0.269977D+01  0.868986D+01 -0.246482D+02
      4  -0.156297D+02 -0.159690D+02 -0.813213D+01 -0.154890D+02  0.136308D+01
      5  -0.169179D+02  0.807041D+00  0.141857D+02 -0.123366D+01  0.135773D+02
      6  -0.225323D+01  0.458475D+01  0.387532D+01  0.360047D+01  0.379167D+01
                46            47            48            49            50 
      1  -0.183303D+02  0.370209D+01  0.155657D+01 -0.712323D+00 -0.907694D+01
      2   0.418671D+01 -0.267413D+01 -0.127879D+01  0.463999D+01  0.142839D+02
      3   0.141436D+02 -0.102795D+01 -0.277785D+00 -0.392766D+01 -0.520694D+01
      4  -0.125793D+01  0.462208D+01 -0.643448D+00 -0.111890D+02  0.178972D+01
      5   0.733265D+01 -0.708796D+00  0.372057D+01 -0.595881D+01 -0.958541D+00
      6  -0.315133D+01  0.247869D-01 -0.214157D+01  0.223659D+01  0.428492D+01
                51            52            53            54            55 
      1  -0.867820D+00  0.106055D+01 -0.121993D+01 -0.786796D+01  0.658660D+01
      2   0.602698D+01  0.221211D+01  0.315154D+01 -0.348376D+01 -0.189972D+01
      3  -0.515916D+01 -0.327265D+01 -0.193161D+01  0.113517D+02 -0.468688D+01
      4  -0.141153D+01 -0.418129D+01 -0.743119D+00  0.108157D+00  0.306805D+01
      5   0.171279D+00  0.591505D+01 -0.917567D-01 -0.102567D+00 -0.784461D+00
      6  -0.120778D+01 -0.103090D+01  0.462348D+01 -0.296647D+01  0.256422D+00
                56            57            58            59            60 
      1   0.291628D+01 -0.880906D+00  0.582888D+01 -0.972573D+01 -0.700660D+00
      2  -0.118044D+01  0.232256D+00 -0.821735D+00  0.253672D+02  0.565858D+01
      3  -0.173584D+01  0.648651D+00 -0.500714D+01 -0.156414D+02 -0.495792D+01
      4   0.234428D+01  0.160827D+01  0.956187D+01  0.315294D+02  0.540778D+01
      5   0.983315D+00 -0.462567D+00 -0.106328D+01  0.612359D+01  0.836516D+01
      6   0.526967D+00 -0.831989D+00 -0.806599D+00 -0.354362D+01  0.438896D+01
                61            62            63            64            65 
      1   0.363683D+01 -0.416861D+00 -0.420653D+01 -0.596802D+00  0.823236D+00
      2  -0.121599D+01  0.584924D+01  0.298092D+01 -0.294508D+01 -0.502039D+00
      3  -0.242084D+01 -0.543238D+01  0.122561D+01  0.354188D+01 -0.321198D+00
      4   0.493645D+01  0.111023D+02  0.528073D+01 -0.141224D+01 -0.158295D+01
      5   0.283569D+00  0.562275D+01  0.391487D+01 -0.138369D+01  0.999256D+00
      6   0.112584D+00  0.327072D+01  0.258848D+01 -0.772033D+00  0.233469D+01
                66            67            68            69            70 
      1  -0.103239D+02 -0.145693D+01 -0.509920D+01  0.294514D+01 -0.879614D+01
      2  -0.682437D+00  0.982625D+00  0.207942D+01 -0.998574D+00  0.435273D+01
      3   0.110064D+02  0.474310D+00  0.301978D+01 -0.194657D+01  0.444341D+01
      4  -0.443309D+00  0.874273D+00  0.297297D+01 -0.306361D+01 -0.317449D+01
      5  -0.240045D+01  0.767605D+00 -0.236226D+01  0.243662D+01  0.761717D+01
      6  -0.275309D+01  0.509245D+00 -0.219564D+01  0.754723D+01  0.104058D+00
                71            72            73            74            75 
      1   0.384020D+01 -0.264598D+02  0.849001D+02 -0.463645D+01 -0.687784D+01
      2  -0.227869D+00 -0.140875D+02 -0.469240D+02  0.358929D+01  0.639115D+01
      3  -0.361233D+01  0.405473D+02 -0.379761D+02  0.104716D+01  0.486697D+00
      4  -0.510314D+01  0.294122D+01  0.364732D+01  0.105735D+02 -0.527883D+00
      5   0.506443D+01 -0.331948D+02 -0.244465D+02  0.907845D+00  0.130563D+02
      6   0.760118D+01 -0.123775D+02  0.942804D+00 -0.276060D+01  0.914446D+00
                76            77            78            79            80 
      1  -0.145276D+02  0.668874D+01  0.122733D+01  0.263292D+00  0.216425D+00
      2   0.868520D+01 -0.170558D+01 -0.111573D+01  0.182673D+01  0.512920D+00
      3   0.584245D+01 -0.498316D+01 -0.111602D+00 -0.209003D+01 -0.729345D+00
      4   0.925087D+01 -0.246474D+01  0.651859D+00  0.637945D+00  0.137394D+01
      5   0.536209D+01 -0.605175D+00 -0.342520D+01  0.109152D+02 -0.569577D+00
      6  -0.237732D+01  0.131450D+01  0.743449D+00  0.422890D+00  0.850265D+00
                81            82            83            84            85 
      1   0.452702D+01  0.120479D+02  0.105630D+02  0.175196D+01  0.386681D+00
      2  -0.502439D+01 -0.850506D+01 -0.841645D+01  0.226633D+00  0.790809D+01
      3   0.497372D+00 -0.354281D+01 -0.214655D+01 -0.197859D+01 -0.829477D+01
      4  -0.239349D+00  0.704788D+01 -0.177527D+02 -0.315715D+01  0.101475D+02
      5  -0.472025D+01 -0.165674D+01 -0.268865D+01 -0.372598D+01  0.532238D+00
      6  -0.579818D+00 -0.968598D+00 -0.490399D+00 -0.255030D+01  0.442625D+01
                86            87            88            89            90 
      1   0.847302D+01  0.438188D+01 -0.135094D+01  0.363683D+01 -0.154867D+02
      2  -0.131467D+02 -0.557624D+01  0.378607D+01 -0.933610D+01  0.191564D+01
      3   0.467365D+01  0.119437D+01 -0.243514D+01  0.569927D+01  0.135710D+02
      4   0.137858D+02  0.171245D+01 -0.518532D+00  0.183763D+01  0.588082D+01
      5   0.179272D+01  0.802801D+00  0.342998D+01  0.508651D+01  0.379605D+01
      6  -0.813910D+01  0.406146D+01 -0.242206D+01  0.150798D+02  0.398337D+01
                91            92            93            94            95 
      1  -0.183733D+01 -0.229422D+02 -0.530621D+01  0.268327D+02  0.557039D+01
      2  -0.132008D+01  0.153353D+02  0.104422D+01 -0.239208D+02 -0.820874D+01
      3   0.315742D+01  0.760689D+01  0.426199D+01 -0.291190D+01  0.263836D+01
      4  -0.148547D+02  0.373927D+01  0.112256D+01  0.118905D+01 -0.101108D+02
      5  -0.511848D+00  0.813917D-01  0.510670D+01 -0.483093D+01 -0.664220D+01
      6  -0.229903D+00  0.200700D+01  0.477980D+01 -0.625782D+01 -0.589040D+01
                96            97            98            99           100 
      1   0.788713D+00  0.589225D+01  0.230676D+01  0.232191D+01 -0.101605D+02
      2  -0.107753D+01 -0.890576D+01 -0.614167D+01 -0.807389D+01  0.735722D+01
      3   0.288817D+00  0.301351D+01  0.383491D+01  0.575198D+01  0.280330D+01
      4  -0.762658D+01 -0.236713D+01 -0.814251D+01  0.150887D+02  0.219966D+01
      5   0.784162D+01  0.189448D+02  0.153512D+02  0.755829D+01  0.190676D+01
      6   0.297376D+01  0.744982D+01  0.114817D+02 -0.184731D+00  0.126924D+01
               101           102           103           104           105 
      1   0.404327D+01  0.254906D+01 -0.888260D+01 -0.218617D+02 -0.763433D+01
      2  -0.306141D+01 -0.115959D+01  0.775247D+01  0.182583D+02  0.814074D+01
      3  -0.981860D+00 -0.138947D+01  0.113013D+01  0.360340D+01 -0.506415D+00
      4   0.212380D+02  0.142876D+01 -0.191929D+02  0.381291D+01  0.333593D+01
      5   0.120096D+01  0.134661D+02 -0.104099D+02  0.107863D+01 -0.136525D+01
      6  -0.128641D+00 -0.161474D+01  0.289444D+01  0.384438D+01 -0.160824D+01
               106           107           108           109           110 
      1   0.860035D+00 -0.775812D+01  0.148192D+02  0.952116D+01  0.209674D+02
      2   0.171215D+01  0.609902D+01 -0.174077D+02 -0.970868D+01 -0.141164D+02
      3  -0.257218D+01  0.165910D+01  0.258850D+01  0.187519D+00 -0.685101D+01
      4  -0.117224D+02  0.186827D+01 -0.350264D+01  0.156072D+02 -0.563301D+01
      5   0.353081D+02 -0.348655D+01 -0.228144D+01  0.416056D+01 -0.119873D+01
      6  -0.221149D+01  0.479764D+01 -0.356316D+01 -0.413630D+01 -0.577476D+00
               111           112           113           114           115 
      1   0.342628D+01 -0.205756D+02  0.115912D+02  0.366501D+01 -0.405904D+01
      2  -0.805966D+00  0.176091D+02 -0.149663D+02 -0.534407D+01  0.587248D+01
      3  -0.262032D+01  0.296647D+01  0.337510D+01  0.167906D+01 -0.181345D+01
      4  -0.266627D+01  0.111250D+02  0.306501D+01  0.493494D+01 -0.744606D+00
      5  -0.117267D-01  0.521913D-01  0.548974D+01 -0.759035D+01  0.123334D+02
      6  -0.377719D+01  0.402232D+01 -0.893189D+01  0.429460D+01 -0.669819D+01
               116           117           118           119           120 
      1   0.182075D+01 -0.557573D+01 -0.273795D+01 -0.171692D+02 -0.328447D+01
      2  -0.837865D+01 -0.330437D+01  0.158396D+01  0.133014D+02  0.191320D+00
      3   0.655790D+01  0.888010D+01  0.115399D+01  0.386777D+01  0.309315D+01
      4   0.770443D+01 -0.145049D+02 -0.122396D+02 -0.108177D+02 -0.619774D+00
      5  -0.148075D+02 -0.809695D+01 -0.276196D+01 -0.151900D+01 -0.264103D+01
      6   0.149780D+02  0.309535D+01  0.216392D+01  0.118951D+01  0.519405D+01
               121           122           123           124           125 
      1   0.457105D+01  0.316832D+01  0.302070D+01  0.507718D+00  0.380244D+01
      2  -0.142558D+02 -0.604836D+01 -0.304124D+01 -0.575303D+01 -0.633909D+01
      3   0.968479D+01  0.288004D+01  0.205425D-01  0.524531D+01  0.253665D+01
      4   0.496829D+01 -0.134466D+02 -0.220044D+01  0.225004D+01 -0.179202D+01
      5   0.275126D+01 -0.218827D+01  0.949909D+00  0.195835D+01 -0.161101D+01
      6  -0.689784D+01 -0.484053D+01  0.379275D+01  0.588900D+01  0.115443D+02
               126           127           128           129           130 
      1  -0.148274D+02 -0.525008D+01  0.878061D+01  0.193916D+01  0.733773D+01
      2   0.168997D+01  0.669400D+01 -0.107335D+02 -0.149703D+01 -0.912601D+01
      3   0.131374D+02 -0.144392D+01  0.195293D+01 -0.442137D+00  0.178828D+01
      4  -0.283960D+01 -0.367582D+01  0.703363D+01  0.115061D+01  0.518043D+01
      5   0.851205D+00 -0.807132D+00  0.116214D+01  0.133751D+01  0.916932D+00
      6   0.631566D+00  0.202534D+01 -0.265635D+01 -0.229293D+01 -0.234594D+01
               131           132           133           134           135 
      1  -0.325182D+02 -0.628191D+01  0.146659D+01 -0.596222D+01 -0.235862D+01
      2   0.433689D+02  0.573561D+01 -0.174084D+01  0.723468D+01  0.267792D+01
      3  -0.108507D+02  0.546307D+00  0.274257D+00 -0.127246D+01 -0.319302D+00
      4   0.647350D+00  0.427810D+00  0.108130D+01  0.261305D+00 -0.133048D+01
      5   0.601910D+00  0.155515D+00  0.744761D+00 -0.626913D+00 -0.438771D+00
      6   0.102828D+02  0.805838D+01 -0.709470D+00  0.366866D+01  0.232542D+01
               136           137           138           139           140 
      1   0.215332D+02  0.134494D+02  0.228955D+01  0.909492D+01  0.342007D+01
      2  -0.430183D+01  0.813315D+00 -0.928417D+00  0.571259D+01  0.159005D+02
      3  -0.172313D+02 -0.142627D+02 -0.136113D+01 -0.148075D+02 -0.193206D+02
      4   0.319125D+02  0.291780D+02  0.389373D+01  0.323702D+02  0.425129D+02
      5   0.608159D+01  0.443178D+01  0.636366D+01  0.610047D+01  0.708016D+01
      6   0.243631D+01  0.217101D+01  0.336137D+01  0.382022D+01  0.532177D+01
               141           142           143           144           145 
      1   0.706488D+00  0.129569D+01  0.242648D+00 -0.252717D+00  0.960424D+02
      2   0.604847D+00  0.809810D+00  0.216703D+01  0.946231D+00 -0.538574D+02
      3  -0.131134D+01 -0.210551D+01 -0.240968D+01 -0.693514D+00 -0.421850D+02
      4   0.620181D+01  0.541703D+01  0.671626D+01  0.293602D+01 -0.148100D+02
      5   0.627728D+01  0.236677D+01  0.254823D+01  0.150412D+01 -0.465713D+01
      6   0.603194D+01  0.181584D+01  0.276979D+01  0.175737D+01 -0.197113D+01
               146           147           148           149           150 
      1  -0.882447D+01 -0.374684D+01 -0.840054D+01  0.960275D+01  0.149855D+01
      2   0.424740D+01  0.251745D+01  0.362123D+01 -0.436166D+01 -0.120421D+01
      3   0.457707D+01  0.122939D+01  0.477931D+01 -0.524110D+01 -0.294337D+00
      4   0.994785D+01  0.268667D+00  0.156774D+02 -0.466155D+01 -0.931142D+00
      5   0.784950D-01  0.105409D+02  0.277226D+01 -0.844293D+00 -0.140092D+01
      6  -0.285798D-01 -0.790518D+00 -0.392619D+00 -0.176585D+00  0.150028D+01
               151           152           153           154           155 
      1  -0.415767D+01  0.160628D+01  0.302886D+01  0.500216D+01 -0.434142D+01
      2   0.228764D+01 -0.856199D+00 -0.204656D+01  0.339822D+01 -0.529872D+01
      3   0.187004D+01 -0.750079D+00 -0.982300D+00 -0.840038D+01  0.964014D+01
      4   0.303235D+01 -0.110757D+01 -0.724086D+00 -0.178612D+02  0.223413D+02
      5   0.276639D+01 -0.493701D+00 -0.866470D+00 -0.340430D+01  0.370061D+01
      6  -0.187639D+00  0.707495D+00  0.259206D+00  0.251690D+01 -0.281691D+01
               156           157           158           159           160 
      1  -0.916352D+00  0.762202D+00 -0.158059D+02 -0.297630D+01  0.275332D-01
      2  -0.231717D+00 -0.110224D+02  0.374117D+02  0.460278D+01 -0.170024D+01
      3   0.114807D+01  0.102602D+02 -0.216058D+02 -0.162648D+01  0.167271D+01
      4   0.408377D+01  0.233730D+02 -0.456488D+02 -0.813483D+01  0.462718D+01
      5   0.422371D+01  0.413989D+01 -0.741543D+01 -0.594752D+01  0.174074D+01
      6  -0.265871D+01 -0.416413D+01  0.101787D+02  0.851434D+01 -0.171455D+01
               161           162           163           164           165 
      1  -0.266321D+01 -0.191053D+01 -0.404012D+01 -0.626907D+01 -0.969096D+00
      2   0.601829D+01  0.259366D+01  0.616718D+01  0.901170D+01  0.608203D+00
      3  -0.335509D+01 -0.683133D+00 -0.212706D+01 -0.274263D+01  0.360894D+00
      4  -0.879389D+01 -0.301298D+01  0.886304D+01  0.829748D+01  0.761053D+00
      5  -0.220260D+01 -0.179180D+01  0.472695D+00  0.550528D+00  0.162924D+01
      6   0.424002D+01  0.271598D+01  0.123019D+01  0.168609D+01  0.217470D+01
               166           167           168           169           170 
      1  -0.728778D+01 -0.197308D+02 -0.332389D+01 -0.917756D+00 -0.318115D+01
      2   0.102833D+02  0.265657D+02  0.269321D+01  0.173093D+01  0.407358D+01
      3  -0.299556D+01 -0.683497D+01  0.630678D+00 -0.813178D+00 -0.892428D+00
      4   0.846052D+01  0.836192D+01  0.765957D+00  0.974423D+00  0.101270D+01
      5   0.606424D+00  0.919827D+00  0.149745D+01  0.579907D+00  0.787691D+00
      6   0.204996D+01  0.453640D+01  0.535364D+01  0.350237D+00  0.187125D+01
               171 
      1  -0.682507D+00
      2   0.134047D+01
      3  -0.657966D+00
      4   0.180284D+01
      5   0.675396D+00
      6   0.113783D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:40:55 2021, MaxMem=  5368709120 cpu:            4929.4 elap:             617.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26354 -10.35544 -10.31219 -10.30891 -10.30834
 Alpha  occ. eigenvalues --  -10.30772 -10.30711 -10.30597 -10.29162  -1.11249
 Alpha  occ. eigenvalues --   -0.96198  -0.87630  -0.84752  -0.82259  -0.73473
 Alpha  occ. eigenvalues --   -0.70389  -0.67902  -0.62670  -0.57582  -0.56730
 Alpha  occ. eigenvalues --   -0.54039  -0.53090  -0.51505  -0.51315  -0.48646
 Alpha  occ. eigenvalues --   -0.47023  -0.45477  -0.45023  -0.43029  -0.40973
 Alpha  occ. eigenvalues --   -0.36594  -0.33999  -0.33331
 Alpha virt. eigenvalues --    0.04664   0.04888   0.08284   0.10335   0.10769
 Alpha virt. eigenvalues --    0.11864   0.13271   0.13441   0.14300   0.16472
 Alpha virt. eigenvalues --    0.17280   0.18173   0.18591   0.19225   0.20763
 Alpha virt. eigenvalues --    0.21030   0.21719   0.22512   0.22849   0.23461
 Alpha virt. eigenvalues --    0.23787   0.25259   0.25560   0.26752   0.27987
 Alpha virt. eigenvalues --    0.28573   0.30414   0.30628   0.30961   0.32012
 Alpha virt. eigenvalues --    0.32031   0.32456   0.33944   0.34327   0.34950
 Alpha virt. eigenvalues --    0.36225   0.36522   0.36832   0.37581   0.38444
 Alpha virt. eigenvalues --    0.38817   0.39110   0.40192   0.40661   0.41523
 Alpha virt. eigenvalues --    0.41646   0.42391   0.43561   0.44196   0.44949
 Alpha virt. eigenvalues --    0.45329   0.45392   0.45753   0.46314   0.47010
 Alpha virt. eigenvalues --    0.47522   0.47632   0.48234   0.49235   0.49617
 Alpha virt. eigenvalues --    0.50090   0.50444   0.50665   0.51252   0.51791
 Alpha virt. eigenvalues --    0.52235   0.53509   0.53972   0.54728   0.55276
 Alpha virt. eigenvalues --    0.56700   0.57260   0.57283   0.58757   0.59902
 Alpha virt. eigenvalues --    0.60259   0.61684   0.62930   0.63375   0.64124
 Alpha virt. eigenvalues --    0.65266   0.65525   0.66115   0.66670   0.67611
 Alpha virt. eigenvalues --    0.68669   0.69038   0.69606   0.70901   0.71532
 Alpha virt. eigenvalues --    0.73449   0.74145   0.74309   0.75961   0.76533
 Alpha virt. eigenvalues --    0.77947   0.78290   0.79522   0.80612   0.82140
 Alpha virt. eigenvalues --    0.83144   0.84461   0.86635   0.86784   0.88755
 Alpha virt. eigenvalues --    0.90152   0.91174   0.92448   0.93744   0.97232
 Alpha virt. eigenvalues --    0.98690   1.00179   1.02754   1.04124   1.04386
 Alpha virt. eigenvalues --    1.05152   1.06509   1.07605   1.08031   1.09517
 Alpha virt. eigenvalues --    1.11149   1.12893   1.13777   1.15073   1.15264
 Alpha virt. eigenvalues --    1.17121   1.18445   1.20840   1.22174   1.23265
 Alpha virt. eigenvalues --    1.23566   1.28053   1.28505   1.28816   1.30067
 Alpha virt. eigenvalues --    1.30818   1.31838   1.34096   1.34401   1.36261
 Alpha virt. eigenvalues --    1.37526   1.40296   1.42619   1.44024   1.46686
 Alpha virt. eigenvalues --    1.48879   1.53551   1.55256   1.57281   1.58838
 Alpha virt. eigenvalues --    1.63799   1.66214   1.66945   1.68189   1.69279
 Alpha virt. eigenvalues --    1.71122   1.71741   1.76406   1.78335   1.79662
 Alpha virt. eigenvalues --    1.81774   1.83429   1.85690   1.87960   1.88992
 Alpha virt. eigenvalues --    1.91444   1.92128   1.94346   1.96409   1.97544
 Alpha virt. eigenvalues --    1.98922   1.99191   2.01560   2.03949   2.06137
 Alpha virt. eigenvalues --    2.09295   2.09833   2.10386   2.12133   2.13158
 Alpha virt. eigenvalues --    2.14403   2.17245   2.19073   2.19679   2.21016
 Alpha virt. eigenvalues --    2.22740   2.26730   2.28290   2.29429   2.34487
 Alpha virt. eigenvalues --    2.35619   2.39531   2.41184   2.42662   2.45331
 Alpha virt. eigenvalues --    2.46891   2.48037   2.48925   2.52295   2.53585
 Alpha virt. eigenvalues --    2.55706   2.55985   2.60117   2.64580   2.65170
 Alpha virt. eigenvalues --    2.66823   2.73805   2.75278   2.77569   2.87526
 Alpha virt. eigenvalues --    2.92208   2.92993   2.95419   2.96160   3.00706
 Alpha virt. eigenvalues --    3.08144   3.10263   3.11541   3.16597   3.17441
 Alpha virt. eigenvalues --    3.18622   3.21644   3.24924   3.29721   3.30420
 Alpha virt. eigenvalues --    3.33165   3.43153   3.62786   3.79541   4.05488
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.253983   0.087189   0.239228  -0.072819  -0.008155   0.006322
     2  C    0.087189   5.773933   0.135217   0.136032   0.507992   0.116177
     3  H    0.239228   0.135217   0.539707   0.004233   0.007767  -0.088864
     4  H   -0.072819   0.136032   0.004233   1.097852  -0.061700  -0.041513
     5  C   -0.008155   0.507992   0.007767  -0.061700   4.202658  -0.103769
     6  C    0.006322   0.116177  -0.088864  -0.041513  -0.103769   8.301992
     7  H   -0.012735   0.157723   0.006518   0.007939   0.293715  -0.074398
     8  H    0.001345   0.032967  -0.001681   0.000357   0.282429   0.027117
     9  H    0.002561   0.151902  -0.001877  -0.023898   0.245611   0.003437
    10  C    0.018747  -0.440819  -0.017398  -0.062504   0.020779  -0.173339
    11  C   -0.003779   0.029367   0.000991   0.013191  -0.004124   0.348485
    12  C   -0.004247   0.056083   0.000404  -0.000256   0.003617  -0.171381
    13  C   -0.011871   0.052666   0.006665   0.007847   0.001853   0.231522
    14  C   -0.036814  -0.439654  -0.024709   0.094093  -0.070081  -0.470004
    15  H    0.014282  -0.262157  -0.004119  -0.015252  -0.005514  -0.711779
    16  H   -0.000512   0.017268   0.000118  -0.000177   0.000719  -0.008360
    17  H    0.000214  -0.007055  -0.000042  -0.000102  -0.000298   0.116767
    18  H   -0.000338   0.016609  -0.000296  -0.000064   0.000596   0.058819
    19  H    0.001002  -0.249289  -0.004911   0.016036  -0.020021  -0.821321
               7          8          9         10         11         12
     1  O   -0.012735   0.001345   0.002561   0.018747  -0.003779  -0.004247
     2  C    0.157723   0.032967   0.151902  -0.440819   0.029367   0.056083
     3  H    0.006518  -0.001681  -0.001877  -0.017398   0.000991   0.000404
     4  H    0.007939   0.000357  -0.023898  -0.062504   0.013191  -0.000256
     5  C    0.293715   0.282429   0.245611   0.020779  -0.004124   0.003617
     6  C   -0.074398   0.027117   0.003437  -0.173339   0.348485  -0.171381
     7  H    0.702765  -0.007556  -0.019119  -0.002121  -0.000313   0.000558
     8  H   -0.007556   0.687730  -0.028468   0.003691  -0.000619   0.000285
     9  H   -0.019119  -0.028468   0.649129  -0.006029  -0.000088  -0.000013
    10  C   -0.002121   0.003691  -0.006029   7.224162  -0.192167   0.461486
    11  C   -0.000313  -0.000619  -0.000088  -0.192167   6.208946   0.040958
    12  C    0.000558   0.000285  -0.000013   0.461486   0.040958   6.257939
    13  C    0.002116   0.000972  -0.000609  -0.303091   0.561551  -0.068955
    14  C    0.015321  -0.025019  -0.007636   0.043624  -0.166621   0.460997
    15  H   -0.000623   0.003186  -0.001081   0.055417  -0.288478  -0.078304
    16  H    0.000051  -0.000070   0.000006  -0.273243  -0.018816  -0.393713
    17  H   -0.000049  -0.000012  -0.000000  -0.070713  -0.254058   0.147773
    18  H    0.000122   0.000543  -0.000010   0.147436  -0.074769  -0.440802
    19  H    0.012184  -0.022151  -0.004800   0.049338   0.159801  -0.031171
              13         14         15         16         17         18
     1  O   -0.011871  -0.036814   0.014282  -0.000512   0.000214  -0.000338
     2  C    0.052666  -0.439654  -0.262157   0.017268  -0.007055   0.016609
     3  H    0.006665  -0.024709  -0.004119   0.000118  -0.000042  -0.000296
     4  H    0.007847   0.094093  -0.015252  -0.000177  -0.000102  -0.000064
     5  C    0.001853  -0.070081  -0.005514   0.000719  -0.000298   0.000596
     6  C    0.231522  -0.470004  -0.711779  -0.008360   0.116767   0.058819
     7  H    0.002116   0.015321  -0.000623   0.000051  -0.000049   0.000122
     8  H    0.000972  -0.025019   0.003186  -0.000070  -0.000012   0.000543
     9  H   -0.000609  -0.007636  -0.001081   0.000006  -0.000000  -0.000010
    10  C   -0.303091   0.043624   0.055417  -0.273243  -0.070713   0.147436
    11  C    0.561551  -0.166621  -0.288478  -0.018816  -0.254058  -0.074769
    12  C   -0.068955   0.460997  -0.078304  -0.393713   0.147773  -0.440802
    13  C    6.814558  -0.309806   0.171831  -0.058655  -0.261536  -0.058320
    14  C   -0.309806   6.958180   0.079478   0.126806  -0.050550  -0.281924
    15  H    0.171831   0.079478   1.932485  -0.489355   0.050315  -0.017672
    16  H   -0.058655   0.126806  -0.489355   2.187006  -0.491866   0.059761
    17  H   -0.261536  -0.050550   0.050315  -0.491866   1.958053  -0.492928
    18  H   -0.058320  -0.281924  -0.017672   0.059761  -0.492928   2.181244
    19  H   -0.393765   0.419247   0.040638  -0.016522   0.046915  -0.447501
              19
     1  O    0.001002
     2  C   -0.249289
     3  H   -0.004911
     4  H    0.016036
     5  C   -0.020021
     6  C   -0.821321
     7  H    0.012184
     8  H   -0.022151
     9  H   -0.004800
    10  C    0.049338
    11  C    0.159801
    12  C   -0.031171
    13  C   -0.393765
    14  C    0.419247
    15  H    0.040638
    16  H   -0.016522
    17  H    0.046915
    18  H   -0.447501
    19  H    1.949192
 Mulliken charges:
               1
     1  O   -0.473606
     2  C    0.127846
     3  H    0.203048
     4  H   -0.099296
     5  C    0.705926
     6  C   -0.545910
     7  H   -0.082098
     8  H    0.044955
     9  H    0.040981
    10  C   -0.483256
    11  C   -0.359457
    12  C   -0.241258
    13  C   -0.384974
    14  C   -0.314928
    15  H    0.526705
    16  H    0.359555
    17  H    0.309173
    18  H    0.349493
    19  H    0.317100
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.270558
     2  C    0.028550
     5  C    0.709765
     6  C   -0.545910
    10  C    0.043448
    11  C    0.000098
    12  C    0.067915
    13  C   -0.035480
    14  C    0.002172
 Electronic spatial extent (au):  <R**2>=           1273.7975
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1146    Y=              1.1428    Z=             -0.7318  Tot=              1.7561
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -54.0989   YY=            -50.7353   ZZ=            -56.7459
   XY=              2.8225   XZ=             -2.9502   YZ=              4.2304
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2389   YY=              3.1247   ZZ=             -2.8858
   XY=              2.8225   XZ=             -2.9502   YZ=              4.2304
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.8437  YYY=             -1.8696  ZZZ=              7.5832  XYY=             -1.9662
  XXY=              4.8560  XXZ=             -6.7303  XZZ=              8.3377  YZZ=              3.2930
  YYZ=              0.0237  XYZ=              4.1819
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1154.5173 YYYY=           -330.0096 ZZZZ=           -170.3575 XXXY=              8.2328
 XXXZ=            -19.2928 YYYX=             -3.3166 YYYZ=             10.5718 ZZZX=             13.5579
 ZZZY=              2.9911 XXYY=           -246.0970 XXZZ=           -244.5742 YYZZ=            -96.0904
 XXYZ=             18.1627 YYXZ=             -0.1948 ZZXY=              6.7412
 N-N= 4.248725613293D+02 E-N=-1.744489110576D+03  KE= 3.814062708686D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:40:56 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.14971907D-01 4.30441933D-01-2.36946877D-01
 Polarizability= 1.20315009D+02 6.58091285D-01 9.70346880D+01
                -1.68596022D+00 5.91441758D+00 6.67553385D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.7438    0.7428        0.4340    0.4370
 2     -0.7438   -0.7428       -2.8016   -2.8009      -12.1666  -12.1719
 3     -0.4340   -0.4370       27.2697   27.2724        2.7997    2.8009
 4      2.8016    2.8009       -0.0000    0.0000       -0.4351   -0.4370
 5    -15.1031  -15.1004        0.4351    0.4370        0.7418    0.7428
 6     -2.7997   -2.8009       -0.7418   -0.7428       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.2285   -2.2285        1.3111    1.3111
 2      8.4028    8.4028       -0.0000    0.0000        1.3111    1.3111
 3      8.4028    8.4028       -2.2285   -2.2285        0.0000    0.0000
 4     -2.2285   -2.2285       -8.4028   -8.4028      -36.5157  -36.5157
 5     -1.3111   -1.3111       81.8171   81.8171        8.4028    8.4028
 6    -45.3013  -45.3013        1.3111    1.3111        2.2285    2.2285
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3805    0.0000       -2.7868   -2.9713       -2.3683   -1.7482
 2      3.0902    2.9713       11.2132   11.2037       48.8751   48.6876
 3      2.0098    1.7482     -109.2418 -109.0894      -10.3520  -11.2037
 4    -11.2644  -11.2037       -0.0073    0.0000        1.9774    1.7482
 5     60.2239   60.4018       -1.6972   -1.7482       -3.0613   -2.9713
 6     11.2887   11.2037        3.0614    2.9713       -0.0630    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4148    0.0000       -0.1229   -0.5144       -4.7840   -3.6562
 2      0.6970    0.5144       47.5010   47.8758       21.9061   20.7366
 3      2.6353    3.6562       19.0882   18.4408      -50.4155  -47.8758
 4    -47.9104  -47.8758       -0.1026    0.0000        3.7461    3.6562
 5    -39.4707  -39.1775       -3.8926   -3.6562       -0.9205   -0.5144
 6     48.3349   47.8758        0.2377    0.5144        1.0652    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -28.9846  -29.3078       -5.4783   -5.3173       -1.5678   -2.5025
 2   -103.6706 -103.5502       -2.2034   -2.2754       -2.3020   -2.5025
 3   -103.4417 -103.5502       -5.4560   -5.3173        1.3620    0.6649
 4     -3.1812   -3.0419       73.9051   74.2425       27.7918   27.9657
 5      2.7089    3.1674       32.3214   32.2003      -74.9910  -74.2425
 6    -60.0491  -60.1660       -3.9269   -3.1674        3.9114    3.0419
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006    0.0006    0.0010    1.8448    3.3336    7.6452
 Low frequencies ---   16.5561  125.3398  198.2235
 Diagonal vibrational polarizability:
       68.2989721      24.6285691      65.0950305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     16.5296               125.3396               198.2231
 Red. masses --      3.4791                 3.5210                 1.2501
 Frc consts  --      0.0006                 0.0326                 0.0289
 IR Inten    --      0.6745                 1.3222                90.6047
 RamAct Fr= 1--      3.4540                 4.1868                 0.6434
  Dep-P Fr= 1--      0.7492                 0.7500                 0.5487
  Dep-U Fr= 1--      0.8566                 0.8571                 0.7086
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0025
 Beta2  Fr= 1--      0.4931                 0.5981                 0.0760
 AlphaG Fr= 1--      0.0003                -0.0000                 0.0156
 Gamma2 Fr= 1--      0.0359                 0.0869                 0.5479
 Delta2 Fr= 1--      0.0862                 0.0429                 0.1251
 Raman1 Fr= 1--      13.816                 16.747                  2.574
 ROA1   Fr= 1--       6.203                  9.715                 56.604
 CID1   Fr= 1--       0.449                  0.580                 21.994
 Raman2 Fr= 1--       5.918                  7.177                  0.912
 ROA2   Fr= 1--       0.172                  1.742                 12.150
 CID2   Fr= 1--       0.029                  0.243                 13.324
 Raman3 Fr= 1--      11.835                 14.354                  1.824
 ROA3   Fr= 1--       6.203                  9.715                 56.604
 CID3   Fr= 1--       0.524                  0.677                 31.038
 RC180  Fr= 1--       0.713                  0.714                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04   0.21   0.07     0.21  -0.09  -0.06    -0.02  -0.05   0.00
     2   6    -0.00  -0.03   0.06    -0.00  -0.01   0.04    -0.01   0.01   0.01
     3   1     0.06   0.30  -0.05     0.47  -0.01  -0.01     0.80   0.48  -0.22
     4   1    -0.00  -0.11   0.23    -0.05   0.02  -0.04    -0.05  -0.01   0.03
     5   6    -0.05  -0.16  -0.15    -0.15   0.06  -0.02     0.06  -0.04   0.01
     6   6    -0.00  -0.04   0.05    -0.01  -0.02   0.18    -0.01   0.05  -0.01
     7   1    -0.10  -0.07  -0.34    -0.05   0.02   0.09     0.10  -0.03  -0.00
     8   1    -0.07  -0.37  -0.16    -0.37   0.17   0.06     0.07  -0.02   0.01
     9   1    -0.04  -0.11  -0.11    -0.15   0.06  -0.27     0.04  -0.10   0.02
    10   6    -0.02   0.01  -0.12    -0.01  -0.02   0.15     0.01   0.04  -0.02
    11   6    -0.02   0.03  -0.17    -0.02   0.02  -0.05     0.01  -0.01  -0.00
    12   6     0.00   0.01  -0.04    -0.03   0.05  -0.20    -0.02  -0.03   0.02
    13   6     0.02  -0.03   0.13    -0.02   0.02  -0.09    -0.05  -0.01   0.01
    14   6     0.02  -0.05   0.17    -0.02  -0.01   0.11    -0.04   0.04  -0.01
    15   1    -0.03   0.02  -0.22    -0.01  -0.03   0.21     0.04   0.05  -0.03
    16   1    -0.03   0.07  -0.29    -0.02   0.03  -0.11     0.03  -0.03  -0.00
    17   1     0.00   0.03  -0.07    -0.03   0.08  -0.39    -0.03  -0.06   0.05
    18   1     0.03  -0.04   0.23    -0.03   0.04  -0.18    -0.08  -0.02   0.02
    19   1     0.03  -0.08   0.30    -0.02  -0.02   0.16    -0.07   0.06  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    237.2947               255.0164               326.7848
 Red. masses --      2.3018                 1.0887                 4.8379
 Frc consts  --      0.0764                 0.0417                 0.3044
 IR Inten    --     19.1597                 3.0426                10.0136
 RamAct Fr= 1--      0.7394                 0.1796                 2.8306
  Dep-P Fr= 1--      0.3798                 0.6760                 0.2323
  Dep-U Fr= 1--      0.5505                 0.8067                 0.3770
 Alpha2 Fr= 1--      0.0059                 0.0002                 0.0352
 Beta2  Fr= 1--      0.0678                 0.0241                 0.1778
 AlphaG Fr= 1--     -0.0083                -0.0008                -0.0166
 Gamma2 Fr= 1--      0.5712                -0.0402                 0.3368
 Delta2 Fr= 1--      0.3185                -0.0328                 0.1338
 Raman1 Fr= 1--       2.958                  0.718                 11.322
 ROA1   Fr= 1--      65.033                 -4.908                 36.610
 CID1   Fr= 1--      21.989                 -6.832                  3.233
 Raman2 Fr= 1--       0.814                  0.290                  2.134
 ROA2   Fr= 1--      11.162                 -0.702                  7.012
 CID2   Fr= 1--      13.711                 -2.422                  3.286
 Raman3 Fr= 1--       1.628                  0.580                  4.268
 ROA3   Fr= 1--      65.033                 -4.908                 36.610
 CID3   Fr= 1--      39.944                 -8.469                  8.578
 RC180  Fr= 1--       0.101                  0.613                 -0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.06  -0.04    -0.01   0.03   0.01     0.32   0.12  -0.05
     2   6    -0.01   0.03  -0.01    -0.01   0.00   0.01     0.05  -0.02   0.01
     3   1    -0.38  -0.41   0.18    -0.15  -0.06   0.04    -0.01  -0.11   0.07
     4   1    -0.16   0.02  -0.04    -0.04  -0.02   0.03     0.06  -0.02   0.03
     5   6     0.11  -0.11  -0.07     0.03  -0.04  -0.01     0.19  -0.01   0.14
     6   6    -0.00   0.13   0.06    -0.00   0.02   0.00    -0.04  -0.08  -0.01
     7   1     0.06  -0.02  -0.28     0.49  -0.14   0.31     0.21  -0.06   0.25
     8   1     0.29  -0.32  -0.14    -0.33   0.34   0.13     0.40   0.14   0.08
     9   1     0.10  -0.15   0.16    -0.05  -0.35  -0.47     0.16  -0.12   0.34
    10   6     0.06   0.08   0.05     0.01   0.02  -0.01    -0.16  -0.01  -0.08
    11   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.17   0.04  -0.02
    12   6    -0.04  -0.05  -0.04    -0.00  -0.02   0.01    -0.15   0.03   0.08
    13   6    -0.11  -0.00   0.01    -0.02  -0.01   0.00    -0.08  -0.02  -0.03
    14   6    -0.09   0.10   0.07    -0.01   0.02  -0.01    -0.08  -0.07  -0.09
    15   1     0.13   0.11   0.07     0.03   0.02  -0.02    -0.25  -0.04  -0.14
    16   1     0.11  -0.07  -0.04     0.03  -0.02  -0.02    -0.18   0.05  -0.03
    17   1    -0.06  -0.11  -0.11    -0.00  -0.04   0.03    -0.14   0.05   0.19
    18   1    -0.19  -0.03   0.00    -0.04  -0.01   0.01    -0.01   0.02  -0.04
    19   1    -0.14   0.14   0.09    -0.02   0.03  -0.02    -0.08  -0.07  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    336.4176               413.5041               492.6240
 Red. masses --      3.2429                 2.9314                 3.3121
 Frc consts  --      0.2162                 0.2953                 0.4736
 IR Inten    --      4.0323                 0.0255                 6.6527
 RamAct Fr= 1--      0.2919                 0.0207                 4.8462
  Dep-P Fr= 1--      0.6369                 0.5465                 0.0923
  Dep-U Fr= 1--      0.7782                 0.7067                 0.1690
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0865
 Beta2  Fr= 1--      0.0379                 0.0024                 0.1365
 AlphaG Fr= 1--     -0.0020                 0.0017                 0.0624
 Gamma2 Fr= 1--     -0.7575                 0.0961                -0.1503
 Delta2 Fr= 1--     -0.2244                -0.0016                 0.0710
 Raman1 Fr= 1--       1.167                  0.083                 19.385
 ROA1   Fr= 1--     -79.903                  9.170                -12.161
 CID1   Fr= 1--     -68.441                110.931                 -0.627
 Raman2 Fr= 1--       0.454                  0.029                  1.638
 ROA2   Fr= 1--     -16.385                  2.319                 -4.176
 CID2   Fr= 1--     -36.072                 79.385                 -2.550
 Raman3 Fr= 1--       0.908                  0.058                  3.275
 ROA3   Fr= 1--     -79.903                  9.170                -12.161
 CID3   Fr= 1--     -87.953                156.963                 -3.713
 RC180  Fr= 1--       0.556                  0.413                 -0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.12   0.09  -0.10    -0.00   0.01  -0.00     0.03   0.12  -0.15
     2   6    -0.01   0.03  -0.14    -0.00  -0.00  -0.00    -0.17  -0.12  -0.06
     3   1    -0.01   0.24  -0.23    -0.01  -0.00   0.00    -0.07   0.11  -0.20
     4   1     0.03   0.04  -0.13    -0.01  -0.00  -0.00    -0.28  -0.16  -0.02
     5   6     0.18   0.03   0.01     0.01  -0.00   0.00    -0.12  -0.12   0.18
     6   6    -0.02  -0.05  -0.03    -0.00   0.00  -0.00    -0.06   0.05   0.04
     7   1     0.30  -0.02   0.14     0.01  -0.01   0.01    -0.23  -0.24   0.42
     8   1     0.33   0.23  -0.03    -0.00   0.01   0.00     0.16   0.14   0.10
     9   1     0.14  -0.15   0.12     0.00  -0.01  -0.01    -0.12  -0.11   0.45
    10   6    -0.04  -0.07   0.15    -0.00   0.04  -0.21     0.05   0.01  -0.00
    11   6    -0.04  -0.01   0.06     0.01  -0.04   0.21     0.07  -0.05  -0.03
    12   6    -0.02   0.04  -0.16    -0.00  -0.00  -0.00     0.12  -0.04   0.01
    13   6     0.02  -0.03   0.07    -0.01   0.04  -0.20     0.04   0.03  -0.01
    14   6     0.01  -0.08   0.15     0.01  -0.04   0.21     0.04   0.10   0.01
    15   1    -0.06  -0.11   0.26    -0.01   0.09  -0.44     0.16   0.06  -0.02
    16   1    -0.06  -0.00   0.09     0.01  -0.09   0.45     0.06  -0.03  -0.05
    17   1    -0.02   0.11  -0.38    -0.00  -0.00   0.00     0.12  -0.06   0.02
    18   1     0.05  -0.02   0.11    -0.01   0.08  -0.43    -0.05   0.00  -0.04
    19   1     0.05  -0.12   0.25     0.02  -0.08   0.46     0.05   0.09  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    543.1271               607.1570               638.6029
 Red. masses --      3.0795                 3.2153                 6.3389
 Frc consts  --      0.5352                 0.6983                 1.5231
 IR Inten    --      9.3841                15.1904                 0.0910
 RamAct Fr= 1--      0.4496                 1.0157                 4.5523
  Dep-P Fr= 1--      0.7087                 0.6896                 0.7359
  Dep-U Fr= 1--      0.8295                 0.8163                 0.8479
 Alpha2 Fr= 1--      0.0003                 0.0011                 0.0011
 Beta2  Fr= 1--      0.0622                 0.1382                 0.6433
 AlphaG Fr= 1--     -0.0003                 0.0030                 0.0034
 Gamma2 Fr= 1--     -0.1778                -0.0614                 0.0753
 Delta2 Fr= 1--     -0.0831                 0.0338                -0.0084
 Raman1 Fr= 1--       1.798                  4.063                 18.209
 ROA1   Fr= 1--     -19.728                 -4.814                  6.964
 CID1   Fr= 1--     -10.970                 -1.185                  0.382
 Raman2 Fr= 1--       0.746                  1.658                  7.720
 ROA2   Fr= 1--      -3.602                 -1.745                  1.875
 CID2   Fr= 1--      -4.829                 -1.052                  0.243
 Raman3 Fr= 1--       1.492                  3.316                 15.439
 ROA3   Fr= 1--     -19.728                 -4.814                  6.964
 CID3   Fr= 1--     -13.224                 -1.452                  0.451
 RC180  Fr= 1--       0.659                  0.633                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08  -0.01  -0.05     0.08  -0.03   0.02    -0.01   0.00  -0.02
     2   6    -0.07   0.12  -0.01    -0.15   0.19   0.10     0.02  -0.03  -0.02
     3   1     0.03   0.01   0.00     0.20  -0.17   0.29    -0.04   0.02  -0.06
     4   1    -0.07   0.16  -0.10    -0.14   0.22   0.03     0.04  -0.04  -0.00
     5   6     0.07   0.05  -0.05    -0.00   0.01   0.00    -0.01  -0.04   0.02
     6   6    -0.05  -0.07   0.25    -0.15  -0.00  -0.09    -0.00  -0.13  -0.02
     7   1     0.26   0.13  -0.18     0.29   0.15  -0.24    -0.05  -0.06   0.07
     8   1     0.19  -0.02  -0.10     0.05  -0.17  -0.03    -0.01   0.01   0.02
     9   1     0.02  -0.19   0.06    -0.08  -0.32   0.07    -0.01  -0.01   0.02
    10   6    -0.01  -0.08   0.03    -0.03  -0.14  -0.09     0.21  -0.21  -0.04
    11   6    -0.01  -0.01  -0.12    -0.00  -0.10   0.05     0.29   0.21   0.03
    12   6     0.07  -0.03   0.17     0.15   0.02  -0.10     0.00   0.14   0.03
    13   6     0.04   0.04  -0.12     0.05   0.07   0.08    -0.22   0.26   0.05
    14   6     0.02  -0.03   0.04    -0.00   0.03  -0.05    -0.26  -0.17  -0.02
    15   1    -0.00  -0.02  -0.24     0.06  -0.13   0.06     0.05  -0.27  -0.07
    16   1    -0.08   0.10  -0.43    -0.14  -0.03   0.28     0.18   0.30   0.03
    17   1     0.07  -0.01   0.20     0.15   0.02  -0.06    -0.06  -0.28  -0.06
    18   1     0.02   0.10  -0.44    -0.02   0.01   0.28    -0.06   0.33   0.04
    19   1     0.09  -0.03  -0.24     0.16  -0.11   0.07    -0.15  -0.25  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    711.6872               767.4278               789.4734
 Red. masses --      1.6933                 3.0851                 2.2557
 Frc consts  --      0.5053                 1.0705                 0.8284
 IR Inten    --     47.7269                23.3696                10.1280
 RamAct Fr= 1--      0.0695                12.0025                 3.3081
  Dep-P Fr= 1--      0.7425                 0.0385                 0.1108
  Dep-U Fr= 1--      0.8522                 0.0742                 0.1995
 Alpha2 Fr= 1--      0.0000                 0.2436                 0.0564
 Beta2  Fr= 1--      0.0099                 0.1484                 0.1100
 AlphaG Fr= 1--     -0.0000                 0.0198                -0.0171
 Gamma2 Fr= 1--     -0.0570                -0.9087                -0.6626
 Delta2 Fr= 1--     -0.0361                -0.5031                -0.0589
 Raman1 Fr= 1--       0.278                 48.010                 13.232
 ROA1   Fr= 1--      -6.623               -103.336                -65.496
 CID1   Fr= 1--     -23.822                 -2.152                 -4.950
 Raman2 Fr= 1--       0.118                  1.781                  1.320
 ROA2   Fr= 1--      -1.078                -17.785                -15.432
 CID2   Fr= 1--      -9.098                 -9.987                -11.692
 Raman3 Fr= 1--       0.237                  3.562                  2.640
 ROA3   Fr= 1--      -6.623               -103.336                -65.496
 CID3   Fr= 1--     -27.953                -29.012                -24.811
 RC180  Fr= 1--       0.704                 -0.852                 -0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.01   0.09    -0.03  -0.00   0.01
     2   6    -0.00   0.00   0.00     0.10  -0.12  -0.05     0.05  -0.08  -0.03
     3   1     0.01  -0.02   0.02    -0.06   0.06  -0.07    -0.10   0.07  -0.13
     4   1     0.01   0.00   0.01     0.11  -0.16   0.06     0.02  -0.10  -0.01
     5   6     0.00  -0.00   0.00     0.07   0.03  -0.06     0.06   0.04  -0.06
     6   6    -0.01   0.02  -0.10    -0.09   0.03  -0.11    -0.02  -0.04   0.22
     7   1    -0.01  -0.00   0.00    -0.19  -0.07   0.11    -0.07  -0.03   0.07
     8   1    -0.01   0.00   0.01    -0.03   0.15  -0.01     0.08   0.16  -0.06
     9   1     0.00   0.00  -0.01     0.15   0.35  -0.17     0.09   0.19  -0.05
    10   6    -0.00  -0.02   0.06    -0.06  -0.11   0.04    -0.02  -0.02  -0.08
    11   6    -0.01   0.02  -0.14    -0.07  -0.13  -0.03    -0.02  -0.05  -0.00
    12   6     0.01  -0.01   0.07     0.14  -0.04   0.07     0.04   0.02  -0.13
    13   6    -0.01   0.04  -0.14    -0.06   0.16   0.03    -0.03   0.06   0.02
    14   6    -0.00  -0.01   0.07    -0.04   0.14   0.09    -0.02   0.07  -0.07
    15   1     0.02  -0.10   0.50     0.03  -0.06  -0.07     0.01  -0.02  -0.02
    16   1    -0.01  -0.04   0.22    -0.24   0.05  -0.32    -0.06  -0.10   0.47
    17   1     0.02  -0.11   0.55     0.12   0.02  -0.34     0.06  -0.13   0.52
    18   1    -0.00  -0.04   0.23    -0.28   0.14  -0.31    -0.09  -0.06   0.47
    19   1     0.02  -0.09   0.50     0.02   0.12  -0.04     0.00   0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    855.8034               904.5879               929.3942
 Red. masses --      1.2486                 2.3693                 1.4970
 Frc consts  --      0.5388                 1.1423                 0.7619
 IR Inten    --      0.0318                19.4717                 7.1707
 RamAct Fr= 1--      1.5558                 4.6094                 1.7734
  Dep-P Fr= 1--      0.7260                 0.5829                 0.7042
  Dep-U Fr= 1--      0.8413                 0.7365                 0.8264
 Alpha2 Fr= 1--      0.0006                 0.0144                 0.0014
 Beta2  Fr= 1--      0.2181                 0.5658                 0.2443
 AlphaG Fr= 1--     -0.0023                -0.0031                -0.0056
 Gamma2 Fr= 1--      0.0228                 1.2465                 0.1118
 Delta2 Fr= 1--      0.0005                 1.6761                 0.1410
 Raman1 Fr= 1--       6.223                 18.438                  7.093
 ROA1   Fr= 1--       2.209                173.299                 15.246
 CID1   Fr= 1--       0.355                  9.399                  2.149
 Raman2 Fr= 1--       2.618                  6.790                  2.931
 ROA2   Fr= 1--       0.544                 16.508                  1.555
 CID2   Fr= 1--       0.208                  2.431                  0.531
 Raman3 Fr= 1--       5.235                 13.579                  5.862
 ROA3   Fr= 1--       2.209                173.299                 15.246
 CID3   Fr= 1--       0.422                 12.762                  2.601
 RC180  Fr= 1--       0.683                  0.473                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.06  -0.03   0.17     0.02  -0.01   0.04
     2   6     0.00  -0.00   0.00    -0.16  -0.05  -0.09    -0.02   0.01  -0.03
     3   1    -0.00   0.00  -0.01     0.05   0.01   0.12     0.02  -0.00   0.04
     4   1     0.00   0.01  -0.01    -0.24  -0.14   0.11     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.07  -0.16    -0.02  -0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.03   0.00  -0.00    -0.00   0.02  -0.09
     7   1     0.01   0.01  -0.01    -0.00  -0.11   0.23     0.00  -0.01   0.01
     8   1     0.00  -0.01  -0.00     0.45   0.56  -0.28     0.02   0.01  -0.01
     9   1    -0.00  -0.00   0.00    -0.02  -0.01   0.24    -0.02  -0.03   0.03
    10   6    -0.00   0.01  -0.08     0.02   0.03  -0.01     0.00  -0.02   0.10
    11   6    -0.00   0.01  -0.07     0.05   0.05   0.01     0.00   0.01  -0.01
    12   6    -0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.00   0.02  -0.10
    13   6     0.00  -0.01   0.07     0.03  -0.05  -0.01     0.00  -0.00  -0.01
    14   6     0.00  -0.01   0.08     0.00  -0.03  -0.02     0.00  -0.02   0.11
    15   1     0.02  -0.09   0.51     0.02   0.02   0.10    -0.02   0.10  -0.54
    16   1     0.01  -0.09   0.46     0.11   0.01  -0.01     0.01  -0.00   0.01
    17   1    -0.00  -0.00   0.01    -0.02   0.01  -0.12     0.01  -0.11   0.58
    18   1    -0.01   0.09  -0.47     0.09  -0.02  -0.04     0.01  -0.01   0.01
    19   1    -0.02   0.09  -0.50     0.01  -0.06   0.08    -0.02   0.10  -0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.2954               977.1083              1015.6811
 Red. masses --      1.3609                 1.2368                 1.9464
 Frc consts  --      0.7410                 0.6957                 1.1831
 IR Inten    --      0.0291                 0.5451                33.5969
 RamAct Fr= 1--      0.0686                 0.0735                28.8086
  Dep-P Fr= 1--      0.1930                 0.5219                 0.0781
  Dep-U Fr= 1--      0.3235                 0.6859                 0.1448
 Alpha2 Fr= 1--      0.0009                 0.0003                 0.5320
 Beta2  Fr= 1--      0.0037                 0.0084                 0.6954
 AlphaG Fr= 1--     -0.0087                 0.0018                -0.1189
 Gamma2 Fr= 1--     -0.1932                 0.1195                 0.8337
 Delta2 Fr= 1--      0.0400                 0.0024                 0.7394
 Raman1 Fr= 1--       0.274                  0.294                115.234
 ROA1   Fr= 1--     -17.265                 11.553                103.698
 CID1   Fr= 1--     -62.926                 39.302                  0.900
 Raman2 Fr= 1--       0.044                  0.101                  8.345
 ROA2   Fr= 1--      -4.956                  2.849                 14.094
 CID2   Fr= 1--    -111.669                 28.265                  1.689
 Raman3 Fr= 1--       0.089                  0.202                 16.690
 ROA3   Fr= 1--     -17.265                 11.553                103.698
 CID3   Fr= 1--    -194.513                 57.302                  6.213
 RC180  Fr= 1--      -0.353                  0.372                 -0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.01  -0.09
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.01   0.14
     3   1    -0.01   0.01  -0.01     0.00  -0.01   0.01     0.12  -0.14   0.21
     4   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.34  -0.13   0.31
     5   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.12  -0.02  -0.05
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.03  -0.01
     7   1     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.32  -0.14   0.15
     8   1     0.01  -0.01  -0.00    -0.00   0.01  -0.00    -0.13   0.16   0.05
     9   1    -0.01  -0.01   0.01     0.01   0.02  -0.01     0.24   0.51  -0.21
    10   6    -0.00   0.01  -0.08     0.00   0.01  -0.04    -0.03   0.06   0.02
    11   6     0.00  -0.02   0.09     0.00  -0.01   0.08     0.02   0.02   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.02  -0.08     0.09   0.00  -0.00
    13   6    -0.00   0.02  -0.09     0.00  -0.01   0.07     0.03  -0.05  -0.01
    14   6     0.00  -0.01   0.09    -0.00   0.00  -0.03    -0.07  -0.11  -0.00
    15   1     0.02  -0.08   0.44     0.01  -0.05   0.29    -0.00   0.08  -0.03
    16   1    -0.02   0.09  -0.47    -0.02   0.11  -0.53    -0.01   0.04   0.02
    17   1    -0.01   0.01  -0.04     0.02  -0.10   0.54     0.10   0.05   0.00
    18   1     0.02  -0.10   0.54    -0.01   0.09  -0.46     0.09  -0.04   0.03
    19   1    -0.01   0.09  -0.48     0.01  -0.05   0.25    -0.07  -0.09  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1027.9852              1054.3369              1077.6338
 Red. masses --      4.3642                 2.2617                 2.6523
 Frc consts  --      2.7173                 1.4813                 1.8147
 IR Inten    --      7.4611                10.7694                26.4820
 RamAct Fr= 1--     25.4233                20.0868                 4.4589
  Dep-P Fr= 1--      0.0596                 0.0535                 0.7236
  Dep-U Fr= 1--      0.1126                 0.1016                 0.8396
 Alpha2 Fr= 1--      0.4908                 0.3935                 0.0020
 Beta2  Fr= 1--      0.4770                 0.3402                 0.6240
 AlphaG Fr= 1--      0.0514                 0.0086                 0.0121
 Gamma2 Fr= 1--     -0.1496                 0.0926                -0.7635
 Delta2 Fr= 1--      0.2197                -0.0970                -1.6176
 Raman1 Fr= 1--     101.693                 80.347                 17.836
 ROA1   Fr= 1--      -7.329                  5.788               -125.061
 CID1   Fr= 1--      -0.072                  0.072                 -7.012
 Raman2 Fr= 1--       5.724                  4.082                  7.488
 ROA2   Fr= 1--      -5.348                  3.000                 -5.384
 CID2   Fr= 1--      -0.934                  0.735                 -0.719
 Raman3 Fr= 1--      11.448                  8.164                 14.975
 ROA3   Fr= 1--      -7.329                  5.788               -125.061
 CID3   Fr= 1--      -0.640                  0.709                 -8.351
 RC180  Fr= 1--      -0.775                 -0.797                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.01   0.06     0.02  -0.00   0.02    -0.02   0.01  -0.09
     2   6     0.04  -0.02  -0.09    -0.00  -0.02  -0.03    -0.04  -0.19   0.19
     3   1    -0.11   0.11  -0.18    -0.07   0.06  -0.12    -0.02  -0.01  -0.07
     4   1     0.18   0.08  -0.23     0.04   0.02  -0.11     0.13  -0.15   0.17
     5   6    -0.06   0.02   0.04     0.01   0.02   0.03     0.01   0.15  -0.03
     6   6     0.04  -0.02   0.01    -0.04  -0.00   0.00    -0.04  -0.05  -0.06
     7   1     0.21   0.12  -0.13     0.05   0.08  -0.11     0.37   0.29  -0.26
     8   1     0.05  -0.15  -0.01    -0.07  -0.13   0.05     0.19   0.00  -0.11
     9   1    -0.15  -0.32   0.10     0.00  -0.03  -0.08    -0.06  -0.15   0.03
    10   6    -0.11   0.30   0.05    -0.06  -0.05  -0.01    -0.05   0.06   0.03
    11   6    -0.03  -0.05  -0.01     0.07   0.19   0.04     0.07   0.04   0.01
    12   6     0.28  -0.05  -0.02     0.13  -0.02  -0.01    -0.03  -0.06  -0.01
    13   6    -0.03   0.08   0.02     0.00  -0.19  -0.04    -0.03   0.05   0.01
    14   6    -0.17  -0.22  -0.04    -0.03   0.08   0.01     0.08   0.04   0.02
    15   1    -0.09   0.31   0.10    -0.38  -0.17  -0.01    -0.22   0.02  -0.06
    16   1     0.03  -0.08  -0.03    -0.20   0.40   0.08     0.25  -0.09  -0.03
    17   1     0.29  -0.10  -0.02     0.14  -0.06  -0.02    -0.07  -0.39  -0.06
    18   1    -0.05   0.06   0.01    -0.36  -0.34  -0.06    -0.17   0.00   0.00
    19   1    -0.10  -0.29  -0.02    -0.27   0.25   0.07     0.29  -0.11  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1090.3171              1121.3604              1185.8674
 Red. masses --      1.7098                 1.6908                 1.1182
 Frc consts  --      1.1976                 1.2527                 0.9265
 IR Inten    --     54.8284                 2.7275                 0.0557
 RamAct Fr= 1--      1.0560                 1.5154                 3.5277
  Dep-P Fr= 1--      0.6481                 0.6213                 0.7413
  Dep-U Fr= 1--      0.7865                 0.7664                 0.8515
 Alpha2 Fr= 1--      0.0019                 0.0036                 0.0005
 Beta2  Fr= 1--      0.1384                 0.1936                 0.5006
 AlphaG Fr= 1--      0.0065                 0.0100                 0.0012
 Gamma2 Fr= 1--     -0.4352                 1.6641                 0.1386
 Delta2 Fr= 1--     -0.3748                 0.5949                -0.0738
 Raman1 Fr= 1--       4.224                  6.062                 14.111
 ROA1   Fr= 1--     -53.773                178.792                 10.945
 CID1   Fr= 1--     -12.730                 29.496                  0.776
 Raman2 Fr= 1--       1.661                  2.323                  6.007
 ROA2   Fr= 1--      -7.447                 35.180                  3.917
 CID2   Fr= 1--      -4.483                 15.146                  0.652
 Raman3 Fr= 1--       3.322                  4.646                 12.015
 ROA3   Fr= 1--     -53.773                178.792                 10.945
 CID3   Fr= 1--     -16.186                 38.486                  0.911
 RC180  Fr= 1--       0.573                  0.533                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.05  -0.00  -0.06     0.01  -0.00  -0.02     0.00  -0.00  -0.00
     2   6     0.10   0.05   0.09    -0.02  -0.12   0.08     0.01   0.00   0.00
     3   1     0.16  -0.15   0.27    -0.11   0.07  -0.20    -0.01   0.01  -0.02
     4   1     0.26   0.00   0.25    -0.01  -0.08  -0.01    -0.01   0.00  -0.00
     5   6    -0.10  -0.04  -0.08    -0.01   0.08  -0.01    -0.00  -0.00  -0.00
     6   6     0.10  -0.02  -0.01     0.00   0.04  -0.02    -0.00   0.00  -0.00
     7   1     0.04  -0.18   0.28     0.22   0.18  -0.16     0.01  -0.00   0.00
     8   1     0.31   0.31  -0.19     0.10  -0.04  -0.05     0.01   0.01  -0.00
     9   1    -0.14  -0.22   0.36    -0.06  -0.15   0.01    -0.00   0.00   0.01
    10   6    -0.00  -0.01  -0.00     0.09  -0.04  -0.00    -0.01  -0.01  -0.00
    11   6    -0.04   0.00   0.00    -0.05  -0.04  -0.01     0.04  -0.03  -0.01
    12   6     0.05  -0.00  -0.00     0.01   0.07   0.01     0.01   0.07   0.01
    13   6    -0.03   0.00   0.00     0.04  -0.05  -0.01    -0.04  -0.02  -0.00
    14   6    -0.02   0.02   0.01    -0.10  -0.01   0.00     0.01  -0.01  -0.00
    15   1    -0.11  -0.06  -0.02     0.45   0.11  -0.03    -0.18  -0.08  -0.01
    16   1    -0.19   0.11   0.03    -0.21   0.08   0.02     0.40  -0.30  -0.07
    17   1     0.06   0.03   0.00     0.07   0.48   0.10     0.09   0.65   0.13
    18   1    -0.17  -0.06  -0.00     0.22   0.01  -0.01    -0.44  -0.17  -0.02
    19   1    -0.17   0.15   0.01    -0.37   0.19   0.04     0.13  -0.10  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1208.6295              1229.9690              1254.8482
 Red. masses --      1.1338                 1.9998                 1.6801
 Frc consts  --      0.9759                 1.7824                 1.5587
 IR Inten    --      0.1525                19.0416                 9.7728
 RamAct Fr= 1--      4.8508                18.5116                12.3974
  Dep-P Fr= 1--      0.5448                 0.1067                 0.0525
  Dep-U Fr= 1--      0.7053                 0.1928                 0.0997
 Alpha2 Fr= 1--      0.0191                 0.3188                 0.2435
 Beta2  Fr= 1--      0.5702                 0.5948                 0.2060
 AlphaG Fr= 1--      0.0048                -0.0396                 0.0281
 Gamma2 Fr= 1--     -0.0791                -0.9744                -1.7302
 Delta2 Fr= 1--      0.0396                -0.3624                 0.3324
 Raman1 Fr= 1--      19.403                 74.047                 49.590
 ROA1   Fr= 1--      -6.321               -105.145               -155.462
 CID1   Fr= 1--      -0.326                 -1.420                 -3.135
 Raman2 Fr= 1--       6.843                  7.138                  2.472
 ROA2   Fr= 1--      -2.215                -20.487                -44.183
 CID2   Fr= 1--      -0.324                 -2.870                -17.875
 Raman3 Fr= 1--      13.685                 14.275                  4.943
 ROA3   Fr= 1--      -6.321               -105.145               -155.462
 CID3   Fr= 1--      -0.462                 -7.366                -31.448
 RC180  Fr= 1--       0.411                 -0.614                 -0.801
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
     2   6     0.00  -0.00  -0.00    -0.09   0.01   0.04    -0.12  -0.06  -0.12
     3   1     0.00   0.00   0.00    -0.12   0.10  -0.22     0.36  -0.24   0.61
     4   1     0.01   0.00  -0.01    -0.71  -0.05  -0.08     0.25  -0.17   0.27
     5   6    -0.00  -0.00   0.00     0.02   0.03   0.01     0.05   0.04   0.05
     6   6    -0.01   0.00   0.00     0.24   0.03  -0.02     0.08  -0.09   0.01
     7   1     0.00  -0.00   0.00     0.00   0.07  -0.08    -0.04   0.11  -0.15
     8   1    -0.00   0.01   0.00    -0.03  -0.01   0.02    -0.12  -0.15   0.08
     9   1     0.01   0.03   0.01     0.01   0.02  -0.04     0.03  -0.02  -0.19
    10   6     0.05   0.02   0.00     0.01  -0.03  -0.00     0.04   0.03   0.00
    11   6    -0.03   0.03   0.01    -0.05  -0.05  -0.01    -0.04  -0.00   0.00
    12   6    -0.01   0.00   0.00     0.02   0.01   0.00     0.01  -0.01  -0.00
    13   6    -0.05  -0.02  -0.00    -0.07   0.05   0.01    -0.00   0.04   0.01
    14   6     0.05  -0.03  -0.01     0.06  -0.04  -0.01    -0.01   0.02   0.00
    15   1     0.47   0.19   0.02    -0.36  -0.19  -0.03     0.04   0.02   0.02
    16   1    -0.36   0.28   0.07    -0.28   0.11   0.03    -0.02  -0.02   0.00
    17   1    -0.01   0.01   0.00    -0.00  -0.08  -0.01     0.02   0.10   0.02
    18   1    -0.46  -0.19  -0.02    -0.20   0.00   0.01    -0.17  -0.03   0.01
    19   1     0.42  -0.31  -0.07    -0.06   0.06   0.00    -0.17   0.15   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1331.4029              1356.6980              1388.0265
 Red. masses --      2.6409                 1.8457                 1.3115
 Frc consts  --      2.7582                 2.0016                 1.4887
 IR Inten    --     15.4832                 4.6040                 4.1973
 RamAct Fr= 1--      0.7382                 0.7434                 2.5957
  Dep-P Fr= 1--      0.4865                 0.7135                 0.4557
  Dep-U Fr= 1--      0.6546                 0.8328                 0.6261
 Alpha2 Fr= 1--      0.0039                 0.0005                 0.0155
 Beta2  Fr= 1--      0.0805                 0.1032                 0.2709
 AlphaG Fr= 1--     -0.0160                 0.0005                 0.0008
 Gamma2 Fr= 1--      0.5460                 0.4980                -1.3190
 Delta2 Fr= 1--      0.2752                -0.2796                -0.5123
 Raman1 Fr= 1--       2.953                  2.974                 10.383
 ROA1   Fr= 1--      61.221                 38.862               -143.021
 CID1   Fr= 1--      20.733                 13.068                -13.775
 Raman2 Fr= 1--       0.966                  1.238                  3.250
 ROA2   Fr= 1--      10.903                 14.190                -27.559
 CID2   Fr= 1--      11.282                 11.459                 -8.478
 Raman3 Fr= 1--       1.933                  2.477                  6.501
 ROA3   Fr= 1--      61.221                 38.862               -143.021
 CID3   Fr= 1--      31.675                 15.692                -22.000
 RC180  Fr= 1--       0.309                  0.666                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02  -0.01     0.01  -0.00   0.00     0.00  -0.02  -0.00
     2   6     0.09  -0.06  -0.10    -0.06   0.01   0.03     0.09   0.05  -0.05
     3   1     0.20  -0.14   0.34    -0.03   0.03  -0.06    -0.08   0.03  -0.12
     4   1    -0.11  -0.32   0.38     0.25   0.14  -0.14    -0.49  -0.31   0.51
     5   6    -0.04   0.06   0.04     0.03  -0.01  -0.02    -0.01   0.06   0.01
     6   6    -0.02   0.22   0.05     0.02  -0.01  -0.00    -0.03  -0.06  -0.01
     7   1     0.15   0.11  -0.05    -0.11  -0.05   0.03     0.01   0.01   0.09
     8   1     0.07  -0.19  -0.01    -0.06   0.05   0.01    -0.06  -0.21   0.02
     9   1    -0.10  -0.18  -0.03     0.03   0.00   0.01    -0.08  -0.21   0.08
    10   6    -0.10  -0.06  -0.01    -0.13  -0.03  -0.00    -0.01  -0.01  -0.00
    11   6     0.11  -0.08  -0.02     0.06  -0.04  -0.01    -0.03   0.04   0.01
    12   6     0.01   0.10   0.02     0.02   0.13   0.03    -0.00   0.01   0.00
    13   6    -0.11  -0.08  -0.01    -0.07  -0.01   0.00     0.06   0.02   0.00
    14   6     0.05  -0.07  -0.01     0.13  -0.07  -0.02    -0.00  -0.00  -0.00
    15   1    -0.13  -0.08   0.00     0.48   0.22   0.03     0.24   0.09   0.02
    16   1    -0.21   0.16   0.04     0.14  -0.10  -0.02     0.21  -0.15  -0.04
    17   1    -0.01  -0.06  -0.01    -0.05  -0.32  -0.06    -0.03  -0.17  -0.03
    18   1     0.35   0.10   0.01    -0.19  -0.05  -0.00    -0.21  -0.09  -0.01
    19   1     0.20  -0.18  -0.03    -0.44   0.36   0.08    -0.14   0.10   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.8979              1412.3693              1489.1476
 Red. masses --      1.2629                 1.2098                 1.1291
 Frc consts  --      1.4790                 1.4219                 1.4752
 IR Inten    --     14.4930                51.3750                 2.6136
 RamAct Fr= 1--      0.3054                 3.6130                 3.1617
  Dep-P Fr= 1--      0.4456                 0.7105                 0.6824
  Dep-U Fr= 1--      0.6165                 0.8308                 0.8112
 Alpha2 Fr= 1--      0.0019                 0.0025                 0.0038
 Beta2  Fr= 1--      0.0314                 0.5003                 0.4275
 AlphaG Fr= 1--      0.0021                -0.0064                -0.0231
 Gamma2 Fr= 1--     -0.0448                 1.7834                 1.3658
 Delta2 Fr= 1--      0.1499                 0.3150                -0.4013
 Raman1 Fr= 1--       1.221                 14.452                 12.647
 ROA1   Fr= 1--       0.501                181.291                118.277
 CID1   Fr= 1--       0.410                 12.544                  9.352
 Raman2 Fr= 1--       0.377                  6.003                  5.130
 ROA2   Fr= 1--      -2.274                 40.282                 35.989
 CID2   Fr= 1--      -6.039                  6.710                  7.016
 Raman3 Fr= 1--       0.753                 12.006                 10.259
 ROA3   Fr= 1--       0.501                181.291                118.277
 CID3   Fr= 1--       0.665                 15.100                 11.529
 RC180  Fr= 1--       0.233                  0.662                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.01  -0.00     0.03  -0.05  -0.01    -0.01   0.01   0.00
     2   6     0.02   0.03  -0.02    -0.08   0.06  -0.01     0.03  -0.03  -0.01
     3   1    -0.04   0.01  -0.06    -0.25   0.13  -0.41     0.04  -0.03   0.09
     4   1    -0.03  -0.07   0.20     0.47  -0.12   0.62    -0.06  -0.03  -0.06
     5   6    -0.08  -0.09   0.08     0.03  -0.01  -0.00     0.03  -0.03  -0.01
     6   6     0.00  -0.01   0.00     0.02   0.01   0.01     0.01   0.04   0.01
     7   1     0.28   0.19  -0.41    -0.12   0.01  -0.07    -0.11   0.18  -0.47
     8   1     0.44   0.37  -0.08    -0.17   0.08   0.07    -0.40   0.52   0.17
     9   1     0.05   0.39  -0.37     0.01  -0.06   0.08    -0.01  -0.15   0.41
    10   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.04   0.01   0.00
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    13   6     0.01   0.00  -0.00    -0.03  -0.00  -0.00     0.03  -0.01  -0.00
    14   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.03  -0.00   0.00
    15   1     0.06   0.02   0.01    -0.11  -0.03   0.00     0.01  -0.03  -0.01
    16   1     0.05  -0.04  -0.01    -0.11   0.08   0.02     0.10  -0.09  -0.02
    17   1    -0.01  -0.06  -0.01     0.01   0.09   0.02    -0.02  -0.16  -0.03
    18   1    -0.05  -0.02  -0.00     0.09   0.04   0.00    -0.05  -0.05  -0.01
    19   1    -0.06   0.04   0.02     0.06  -0.04  -0.01     0.04  -0.06  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.2073              1497.1892              1535.4642
 Red. masses --      1.9079                 1.0551                 2.2007
 Frc consts  --      2.5064                 1.3935                 3.0570
 IR Inten    --     12.6097                 4.6448                 5.2699
 RamAct Fr= 1--      1.1784                 5.7328                 0.0171
  Dep-P Fr= 1--      0.6421                 0.5949                 0.7500
  Dep-U Fr= 1--      0.7820                 0.7460                 0.8571
 Alpha2 Fr= 1--      0.0023                 0.0165                 0.0000
 Beta2  Fr= 1--      0.1536                 0.7127                 0.0024
 AlphaG Fr= 1--      0.0056                -0.0480                -0.0000
 Gamma2 Fr= 1--     -3.3694                -0.1030                 0.1452
 Delta2 Fr= 1--      1.3711                -0.9415                -0.0850
 Raman1 Fr= 1--       4.714                 22.931                  0.068
 ROA1   Fr= 1--    -279.587                -40.015                 11.219
 CID1   Fr= 1--     -59.314                 -1.745                164.303
 Raman2 Fr= 1--       1.843                  8.553                  0.029
 ROA2   Fr= 1--     -91.835                  5.061                  4.165
 CID2   Fr= 1--     -49.825                  0.592                142.329
 Raman3 Fr= 1--       3.686                 17.106                  0.059
 ROA3   Fr= 1--    -279.587                -40.015                 11.219
 CID3   Fr= 1--     -75.846                 -2.339                191.687
 RC180  Fr= 1--       0.564                  0.492                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.05   0.02  -0.01    -0.02  -0.00  -0.02    -0.04   0.01   0.01
     3   1     0.03  -0.02   0.05     0.01  -0.00   0.01    -0.01   0.01  -0.03
     4   1    -0.34  -0.05  -0.02     0.03  -0.03   0.05    -0.01   0.01   0.01
     5   6     0.00  -0.02   0.00    -0.03  -0.02  -0.04     0.00   0.01   0.00
     6   6    -0.02  -0.14  -0.03     0.01   0.00   0.00     0.14  -0.02  -0.01
     7   1     0.04   0.09  -0.21     0.62  -0.01   0.13    -0.05  -0.02   0.05
     8   1    -0.18   0.21   0.08    -0.28  -0.20   0.06     0.05  -0.05  -0.02
     9   1     0.00   0.00   0.21     0.12   0.52   0.42    -0.00  -0.01  -0.08
    10   6    -0.08   0.05   0.01     0.00  -0.00  -0.00    -0.08  -0.09  -0.01
    11   6     0.12  -0.00  -0.00    -0.01   0.00   0.00    -0.10   0.12   0.03
    12   6    -0.01  -0.11  -0.02     0.01   0.01   0.00     0.10  -0.02  -0.01
    13   6    -0.11   0.02   0.01    -0.00  -0.01  -0.00    -0.13  -0.09  -0.01
    14   6     0.08   0.04   0.00    -0.01   0.00  -0.00    -0.05   0.10   0.02
    15   1     0.17   0.16   0.03     0.01  -0.00   0.00     0.42   0.10   0.01
    16   1    -0.19   0.25   0.05     0.02  -0.03  -0.01     0.40  -0.25  -0.06
    17   1     0.08   0.52   0.10    -0.00  -0.04  -0.01     0.13  -0.01  -0.01
    18   1     0.29   0.20   0.03     0.00  -0.01  -0.00     0.46   0.14   0.01
    19   1    -0.08   0.18   0.03    -0.01   0.01   0.01     0.40  -0.22  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.0229              1649.5970              3036.3904
 Red. masses --      5.3991                 5.5652                 1.0354
 Frc consts  --      8.4520                 8.9226                 5.6246
 IR Inten    --      0.7558                 0.8799                12.8307
 RamAct Fr= 1--      8.3811                34.4434               175.6499
  Dep-P Fr= 1--      0.7484                 0.6265                 0.0082
  Dep-U Fr= 1--      0.8561                 0.7703                 0.0163
 Alpha2 Fr= 1--      0.0002                 0.0775                 3.8291
 Beta2  Fr= 1--      1.1959                 4.4221                 0.4770
 AlphaG Fr= 1--      0.0048                 0.0226                -0.3845
 Gamma2 Fr= 1--      0.2764                 0.4790                -0.9396
 Delta2 Fr= 1--      0.0085                 0.4145                -1.5751
 Raman1 Fr= 1--      33.524                137.774                702.600
 ROA1   Fr= 1--      26.806                 59.248               -140.608
 CID1   Fr= 1--       0.800                  0.430                 -0.200
 Raman2 Fr= 1--      14.350                 53.066                  5.724
 ROA2   Fr= 1--       6.565                  8.180                 -9.950
 CID2   Fr= 1--       0.457                  0.154                 -1.738
 Raman3 Fr= 1--      28.701                106.131                 11.449
 ROA3   Fr= 1--      26.806                 59.248               -140.608
 CID3   Fr= 1--       0.934                  0.558                -12.281
 RC180  Fr= 1--       0.712                  0.541                 -0.967
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02   0.04   0.01     0.03  -0.00  -0.01     0.00  -0.01  -0.00
     3   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00  -0.00
     4   1    -0.23  -0.01  -0.00    -0.00  -0.01   0.00    -0.01   0.06   0.03
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.03
     6   6    -0.03  -0.29  -0.06    -0.22   0.02   0.01    -0.00   0.00  -0.00
     7   1    -0.04  -0.01   0.02    -0.00   0.00  -0.01     0.07  -0.57  -0.27
     8   1     0.02  -0.01  -0.00    -0.01   0.01   0.00     0.20  -0.02   0.57
     9   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02    -0.46   0.13  -0.00
    10   6     0.11   0.17   0.03     0.31   0.05   0.00     0.00  -0.00   0.00
    11   6     0.05  -0.21  -0.04    -0.26   0.10   0.03     0.00   0.00   0.00
    12   6     0.05   0.35   0.07     0.14  -0.01  -0.01    -0.00   0.00  -0.00
    13   6    -0.09  -0.19  -0.03    -0.28  -0.04   0.00     0.00   0.00  -0.00
    14   6    -0.08   0.20   0.04     0.28  -0.12  -0.03    -0.00  -0.00  -0.00
    15   1    -0.28   0.01   0.01    -0.35  -0.21  -0.03    -0.00  -0.00  -0.00
    16   1    -0.25  -0.01   0.01     0.20  -0.26  -0.06    -0.00  -0.00  -0.00
    17   1    -0.07  -0.47  -0.09     0.15  -0.03  -0.01     0.00  -0.00  -0.00
    18   1     0.23  -0.08  -0.02     0.28   0.19   0.03     0.00  -0.00  -0.00
    19   1     0.32  -0.09  -0.02    -0.27   0.30   0.07     0.01   0.02   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3055.5256              3099.9073              3112.5349
 Red. masses --      1.0858                 1.1008                 1.1020
 Frc consts  --      5.9725                 6.2322                 6.2900
 IR Inten    --     13.0059                31.1984                26.8774
 RamAct Fr= 1--     63.4739                34.2985               111.5932
  Dep-P Fr= 1--      0.3401                 0.4678                 0.5418
  Dep-U Fr= 1--      0.5076                 0.6374                 0.7028
 Alpha2 Fr= 1--      0.5752                 0.1954                 0.4465
 Beta2  Fr= 1--      5.3702                 3.6436                13.0712
 AlphaG Fr= 1--     -0.3871                 0.1880                 0.0457
 Gamma2 Fr= 1--      2.2486                 0.7634                -1.3197
 Delta2 Fr= 1--      2.1683                -0.3505                 0.5855
 Raman1 Fr= 1--     253.896                137.194                446.373
 ROA1   Fr= 1--     285.256                 62.070               -107.955
 CID1   Fr= 1--       1.124                  0.452                 -0.242
 Raman2 Fr= 1--      64.442                 43.723                156.855
 ROA2   Fr= 1--      36.621                 21.125                -36.358
 CID2   Fr= 1--       0.568                  0.483                 -0.232
 Raman3 Fr= 1--     128.884                 87.447                313.710
 ROA3   Fr= 1--     285.256                 62.070               -107.955
 CID3   Fr= 1--       2.213                  0.710                 -0.344
 RC180  Fr= 1--       0.015                  0.275                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.07  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
     3   1     0.01  -0.02  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   1    -0.16   0.86   0.40    -0.04   0.21   0.09     0.02  -0.08  -0.04
     5   6    -0.01   0.01   0.02    -0.01  -0.05  -0.07    -0.08   0.04  -0.02
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.02  -0.13  -0.06    -0.07   0.64   0.29     0.01  -0.23  -0.12
     8   1    -0.06   0.01  -0.15     0.22  -0.05   0.62     0.12  -0.01   0.39
     9   1     0.13  -0.03   0.01    -0.08   0.01  -0.02     0.84  -0.21  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.01     0.01   0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3163.8781              3167.9597              3177.2192
 Red. masses --      1.0853                 1.0866                 1.0898
 Frc consts  --      6.4010                 6.4253                 6.4820
 IR Inten    --      4.5529                 1.3490                 7.5763
 RamAct Fr= 1--     14.0745                99.1651               112.3713
  Dep-P Fr= 1--      0.3892                 0.7373                 0.4951
  Dep-U Fr= 1--      0.5603                 0.8488                 0.6623
 Alpha2 Fr= 1--      0.1083                 0.0215                 0.5677
 Beta2  Fr= 1--      1.3144                14.0281                12.4033
 AlphaG Fr= 1--     -0.0123                 0.0167                -0.0232
 Gamma2 Fr= 1--      0.8157                -1.6152                -1.9371
 Delta2 Fr= 1--      0.1304                 0.2254                 0.2138
 Raman1 Fr= 1--      56.298                396.661                449.485
 ROA1   Fr= 1--      82.483               -147.850               -179.118
 CID1   Fr= 1--       1.465                 -0.373                 -0.398
 Raman2 Fr= 1--      15.773                168.338                148.839
 ROA2   Fr= 1--      18.535                -40.569                -48.199
 CID2   Fr= 1--       1.175                 -0.241                 -0.324
 Raman3 Fr= 1--      31.546                336.675                297.679
 ROA3   Fr= 1--      82.483               -147.850               -179.118
 CID3   Fr= 1--       2.615                 -0.439                 -0.602
 RC180  Fr= 1--       0.121                  0.698                  0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.00  -0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   1     0.00  -0.02  -0.01    -0.01   0.04   0.02    -0.00   0.03   0.01
     8   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     9   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.02  -0.05  -0.01     0.02  -0.04  -0.01    -0.01   0.04   0.01
    11   6     0.02   0.03   0.01     0.01   0.02   0.00     0.02   0.02   0.00
    12   6    -0.03   0.00   0.00     0.01  -0.00  -0.00    -0.05   0.01   0.00
    13   6     0.01  -0.03  -0.01    -0.01   0.04   0.01     0.01  -0.01  -0.00
    14   6     0.02   0.02   0.00    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01
    15   1    -0.21   0.53   0.11    -0.21   0.52   0.10     0.16  -0.40  -0.08
    16   1    -0.29  -0.37  -0.06    -0.15  -0.20  -0.03    -0.20  -0.24  -0.04
    17   1     0.37  -0.05  -0.02    -0.12   0.02   0.01     0.62  -0.08  -0.03
    18   1    -0.15   0.37   0.08     0.17  -0.44  -0.09    -0.06   0.14   0.03
    19   1    -0.21  -0.28  -0.04     0.36   0.47   0.07     0.32   0.42   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3185.0587              3195.5923              3788.2078
 Red. masses --      1.0936                 1.0976                 1.0661
 Frc consts  --      6.5362                 6.6037                 9.0140
 IR Inten    --     30.3746                12.7331                17.7516
 RamAct Fr= 1--     21.5151               313.7949                48.5892
  Dep-P Fr= 1--      0.7499                 0.0907                 0.1056
  Dep-U Fr= 1--      0.8571                 0.1663                 0.1910
 Alpha2 Fr= 1--      0.0000                 5.6201                 0.8392
 Beta2  Fr= 1--      3.0733                 8.6985                 1.5465
 AlphaG Fr= 1--     -0.0004                 0.0355                -0.8285
 Gamma2 Fr= 1--      0.3064                 1.5132                 1.7352
 Delta2 Fr= 1--     -1.7713                 0.1021                -1.7332
 Raman1 Fr= 1--      86.060               1255.180                194.357
 ROA1   Fr= 1--     -27.272                148.533                111.113
 CID1   Fr= 1--      -0.317                  0.118                  0.572
 Raman2 Fr= 1--      36.879                104.382                 18.558
 ROA2   Fr= 1--      21.523                 35.500                 55.510
 CID2   Fr= 1--       0.584                  0.340                  2.991
 Raman3 Fr= 1--      73.759                208.763                 37.116
 ROA3   Fr= 1--     -27.272                148.533                111.113
 CID3   Fr= 1--      -0.370                  0.711                  2.994
 RC180  Fr= 1--       0.714                 -0.667                 -0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05  -0.04
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.33   0.76   0.56
     4   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00   0.02   0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.06   0.01   0.00     0.00   0.00   0.00
    13   6     0.02  -0.05  -0.01    -0.01   0.04   0.01    -0.00   0.00  -0.00
    14   6    -0.02  -0.03  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.12   0.29   0.06    -0.07   0.17   0.03    -0.00   0.00   0.00
    16   1     0.37   0.46   0.08     0.30   0.38   0.07     0.00   0.00  -0.00
    17   1     0.02  -0.01  -0.00     0.66  -0.09  -0.04    -0.00  -0.00   0.00
    18   1    -0.22   0.54   0.11     0.17  -0.43  -0.09     0.00  -0.00   0.00
    19   1     0.26   0.33   0.05    -0.13  -0.16  -0.03    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.446801638.930051841.94092
           X            0.99974   0.01587  -0.01664
           Y           -0.01532   0.99935   0.03253
           Z            0.01714  -0.03227   0.99933
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16642     0.05285     0.04702
 Rotational constants (GHZ):           3.46768     1.10117     0.97980
 Zero-point vibrational energy     421859.0 (Joules/Mol)
                                  100.82673 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     23.78   180.34   285.20   341.41   366.91
          (Kelvin)            470.17   484.03   594.94   708.78   781.44
                              873.56   918.81  1023.96  1104.16  1135.88
                             1231.31  1301.50  1337.19  1383.09  1405.84
                             1461.34  1479.04  1516.96  1550.47  1568.72
                             1613.39  1706.20  1738.95  1769.65  1805.45
                             1915.59  1951.99  1997.06  2028.53  2032.08
                             2142.55  2148.39  2154.12  2209.19  2345.24
                             2373.40  4368.69  4396.22  4460.08  4478.24
                             4552.11  4557.99  4571.31  4582.59  4597.74
                             5450.39
 
 Zero-point correction=                           0.160678 (Hartree/Particle)
 Thermal correction to Energy=                    0.169260
 Thermal correction to Enthalpy=                  0.170204
 Thermal correction to Gibbs Free Energy=         0.126271
 Sum of electronic and zero-point Energies=           -386.114886
 Sum of electronic and thermal Energies=              -386.106303
 Sum of electronic and thermal Enthalpies=            -386.105359
 Sum of electronic and thermal Free Energies=         -386.149292
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.212             32.443             92.464
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.842
 Vibrational            104.435             26.482             23.309
 Vibration     1          0.593              1.986              7.013
 Vibration     2          0.610              1.928              3.016
 Vibration     3          0.637              1.842              2.150
 Vibration     4          0.656              1.784              1.823
 Vibration     5          0.665              1.754              1.696
 Vibration     6          0.710              1.622              1.276
 Vibration     7          0.717              1.603              1.229
 Vibration     8          0.777              1.441              0.914
 Vibration     9          0.848              1.266              0.677
 Vibration    10          0.898              1.155              0.559
 Vibration    11          0.966              1.017              0.438
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.830275D-58        -58.080778       -133.735934
 Total V=0       0.669472D+16         15.825732         36.440096
 Vib (Bot)       0.349049D-71        -71.457114       -164.536086
 Vib (Bot)    1  0.125332D+02          1.098063          2.528384
 Vib (Bot)    2  0.162837D+01          0.211753          0.487579
 Vib (Bot)    3  0.100659D+01          0.002854          0.006571
 Vib (Bot)    4  0.827331D+00         -0.082321         -0.189551
 Vib (Bot)    5  0.763495D+00         -0.117194         -0.269849
 Vib (Bot)    6  0.572897D+00         -0.241923         -0.557049
 Vib (Bot)    7  0.553192D+00         -0.257124         -0.592050
 Vib (Bot)    8  0.426736D+00         -0.369841         -0.851590
 Vib (Bot)    9  0.335805D+00         -0.473913         -1.091225
 Vib (Bot)   10  0.290845D+00         -0.536339         -1.234965
 Vib (Bot)   11  0.244120D+00         -0.612396         -1.410095
 Vib (V=0)       0.281447D+03          2.449396          5.639944
 Vib (V=0)    1  0.130432D+02          1.115384          2.568267
 Vib (V=0)    2  0.220340D+01          0.343094          0.790004
 Vib (V=0)    3  0.162393D+01          0.210569          0.484852
 Vib (V=0)    4  0.146668D+01          0.166336          0.383003
 Vib (V=0)    5  0.141265D+01          0.150034          0.345465
 Vib (V=0)    6  0.126040D+01          0.100509          0.231431
 Vib (V=0)    7  0.124567D+01          0.095403          0.219672
 Vib (V=0)    8  0.115735D+01          0.063463          0.146129
 Vib (V=0)    9  0.110230D+01          0.042300          0.097399
 Vib (V=0)   10  0.107844D+01          0.032795          0.075514
 Vib (V=0)   11  0.105641D+01          0.023833          0.054879
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448696D+06          5.651952         13.014100
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333 3333                                             11 1111111111111111111                                  
     7                11111 1100                                             66 54444433322211000009999 8 77 7 66 5 4  4 33 221 1    
     8                98766 1053                                             53 39981185353082975217620 5 86 1 30 4 9  1 32 539 2   1
     8                65784 3066                                             00 57392087150961084867195 6 97 2 97 3 3  4 67 578 5   7
 
     X                XXXXX XXXX                                             XX XXXXXXXXXXXXXXXXXXXX XX   XX X XX X X    XX XXX X   X
     X                XXX   XXXX                                                  X XX  XXX   XXXXX  XX   XX X  X X       X  XX      
     X                XX    XXXX                                                  X XX  X X   XX  X   X    X X  X            XX      
     X                 X    XX                                                      X     X   XX  X   X    X X               XX      
                       X    XX                                                      X         XX  X        X X                X      
                       X    XX                                                      X         XX  X          X                X      
                       X     X                                                      X         X   X          X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                              X                               X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000010607   -0.000003894   -0.000015466
      2        6           0.000011988   -0.000016401    0.000013738
      3        1           0.000000549    0.000004842    0.000004648
      4        1          -0.000001379    0.000001073   -0.000000397
      5        6           0.000001738    0.000014714   -0.000000918
      6        6          -0.000006534    0.000004770   -0.000007101
      7        1           0.000003652   -0.000003528   -0.000005103
      8        1          -0.000000167   -0.000002216   -0.000000850
      9        1          -0.000002074   -0.000002505    0.000001630
     10        6          -0.000001392    0.000007623    0.000006984
     11        6           0.000005481    0.000001035    0.000001684
     12        6           0.000002310    0.000001010    0.000000265
     13        6          -0.000000749   -0.000002178    0.000001306
     14        6           0.000001024   -0.000005008    0.000003343
     15        1           0.000001047    0.000000213   -0.000003368
     16        1          -0.000001346    0.000001802    0.000000536
     17        1           0.000000037   -0.000001694   -0.000000039
     18        1           0.000002046   -0.000000144   -0.000000166
     19        1          -0.000005624    0.000000486   -0.000000726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016401 RMS     0.000005420
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126569D+03  0.874074D+00 -0.148567D+01
      2   0.874074D+00  0.102226D+03  0.560187D+01
      3  -0.148567D+01  0.560187D+01  0.720247D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.321522D+00 -0.798579D+01 -0.231849D+01
      2   0.116419D+02 -0.100468D+02  0.743631D+01
      3   0.180406D+01  0.404395D+02  0.954194D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.917873D+02 -0.401003D+01  0.757808D+01
      2   0.312398D+02  0.102955D+02  0.691319D+01
      3   0.605476D+02 -0.628545D+01 -0.144913D+02
      4   0.146939D+02 -0.802282D+02 -0.255427D+02
      5  -0.168402D+02 -0.262485D+02  0.233221D+02
      6  -0.108541D+02 -0.143376D+02  0.937660D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.544179D+01 -0.987359D+00  0.231341D+01 -0.239857D+01  0.196876D+01
      2  -0.987359D+00  0.841856D+00 -0.366628D+00  0.196876D+01 -0.297361D+01
      3   0.231341D+01 -0.366628D+00  0.276297D+01 -0.112054D+01  0.131057D-01
                 6             7             8             9            10 
      1  -0.112054D+01  0.545579D+01 -0.965160D+00  0.374478D+01 -0.364465D+01
      2   0.131057D-01 -0.965160D+00 -0.104108D+01 -0.305555D+01  0.262464D-01
      3  -0.335625D+01  0.374478D+01 -0.305555D+01  0.310522D+01 -0.634374D+00
                11            12            13            14            15 
      1   0.262464D-01 -0.634374D+00 -0.610341D+00 -0.223143D+01  0.177506D+01
      2  -0.772127D+00  0.137124D+01 -0.223143D+01  0.371928D+01  0.292809D+01
      3   0.137124D+01 -0.245149D+01  0.177506D+01  0.292809D+01  0.336859D+00
                16            17            18            19            20 
      1  -0.393012D+01  0.189238D+01 -0.510102D+01 -0.580774D+00  0.433408D+00
      2   0.189238D+01  0.314398D+01  0.164801D+01  0.433408D+00 -0.431498D+00
      3  -0.510102D+01  0.164801D+01 -0.190704D+01  0.897266D-01 -0.399585D+00
                21            22            23            24            25 
      1   0.897266D-01  0.191526D+01 -0.878625D-01  0.338739D+00  0.148719D+01
      2  -0.399585D+00 -0.878625D-01  0.209881D+01  0.176116D+01 -0.179599D+00
      3  -0.122987D+01  0.338739D+00  0.176116D+01  0.299287D+01  0.363265D+00
                26            27            28            29            30 
      1  -0.179599D+00  0.363265D+00  0.322913D+00 -0.118799D+01 -0.679703D+00
      2   0.173980D+01  0.123460D+01 -0.118799D+01  0.112533D+01  0.186027D+00
      3   0.123460D+01  0.394487D+01 -0.679703D+00  0.186027D+00  0.751860D+00
                31            32            33            34            35 
      1  -0.248855D+01  0.184639D+01  0.352015D+00 -0.942994D+00  0.381957D+00
      2   0.184639D+01 -0.590806D+01 -0.177312D+01  0.381957D+00 -0.213393D+01
      3   0.352015D+00 -0.177312D+01 -0.179349D+01  0.111672D+01 -0.159998D+01
                36            37            38            39            40 
      1   0.111672D+01 -0.831242D+01  0.200793D+01  0.204641D+00  0.438714D+01
      2  -0.159998D+01  0.200793D+01  0.110900D+01 -0.108621D+01  0.126970D+01
      3  -0.143866D+01  0.204641D+00 -0.108621D+01  0.293784D+01 -0.147000D+01
                41            42            43            44            45 
      1   0.126970D+01 -0.147000D+01 -0.107164D+01 -0.139700D+01  0.259167D+01
      2  -0.330480D+01 -0.284742D+01 -0.139700D+01 -0.275225D+01 -0.615045D+00
      3  -0.284742D+01 -0.187206D+00  0.259167D+01 -0.615045D+00  0.461085D+01
                46            47            48            49            50 
      1   0.165534D+02 -0.172991D+01  0.813429D+00 -0.311633D+01 -0.142775D+01
      2  -0.172991D+01  0.264680D+01  0.400067D-01 -0.142775D+01 -0.565702D+00
      3   0.813429D+00  0.400067D-01  0.201476D+01 -0.156459D+01 -0.382547D+00
                51            52            53            54            55 
      1  -0.156459D+01 -0.101403D+01 -0.104079D+01  0.388890D+01  0.118358D+01
      2  -0.382547D+00 -0.104079D+01 -0.335608D+00 -0.363401D+00  0.404054D+00
      3  -0.159789D+00  0.388890D+01 -0.363401D+00 -0.356351D+00  0.157045D+00
                56            57            58            59            60 
      1   0.404054D+00  0.157045D+00  0.171371D+01  0.897791D+00 -0.158112D-01
      2  -0.840622D-01  0.266183D+00  0.897791D+00  0.610291D+01  0.997229D+00
      3   0.266183D+00 -0.265151D+00 -0.158112D-01  0.997229D+00  0.164511D+01
                61            62            63            64            65 
      1   0.106360D+01  0.598783D+00 -0.837728D-01  0.348659D-01 -0.106758D+00
      2   0.598783D+00  0.204676D+01  0.113944D+01 -0.106758D+00 -0.510111D+00
      3  -0.837728D-01  0.113944D+01  0.587776D+00 -0.910839D+00  0.355137D+00
                66            67            68            69            70 
      1  -0.910839D+00 -0.445306D+00 -0.709004D-01  0.124011D+00 -0.177619D+01
      2   0.355137D+00 -0.709004D-01  0.708979D+00 -0.865673D+00 -0.180606D+00
      3  -0.191285D+01  0.124011D+00 -0.865673D+00  0.598935D+00  0.751063D-01
                71            72            73            74            75 
      1  -0.180606D+00  0.751063D-01  0.127303D+02 -0.458089D+00 -0.146090D+01
      2  -0.122041D+01  0.122355D+01 -0.458089D+00  0.114158D+01 -0.311319D-01
      3   0.122355D+01 -0.847831D+01 -0.146090D+01 -0.311319D-01  0.128631D+01
                76            77            78            79            80 
      1  -0.236787D+01  0.101891D+01  0.499529D+00 -0.652442D-01  0.147105D+00
      2   0.101891D+01 -0.312165D+00  0.172887D+00  0.147105D+00  0.338335D+00
      3   0.499529D+00  0.172887D+00 -0.482154D+00  0.105857D+01 -0.747462D-02
                81            82            83            84            85 
      1   0.105857D+01 -0.490983D+01  0.251428D+01  0.814050D-01 -0.610862D+01
      2  -0.747462D-02  0.251428D+01  0.244767D+01  0.285046D+00  0.377370D+00
      3  -0.707011D+00  0.814050D-01  0.285046D+00  0.816996D+00 -0.273302D+00
                86            87            88            89            90 
      1   0.377370D+00 -0.273302D+00 -0.113759D+01 -0.502710D+00  0.102353D+01
      2  -0.178757D+01  0.759902D+00 -0.502710D+00  0.115374D+01 -0.382468D+01
      3   0.759902D+00 -0.164159D+01  0.102353D+01 -0.382468D+01 -0.221667D+01
                91            92            93            94            95 
      1   0.201280D+01 -0.733292D+00  0.886802D-01 -0.542907D+01  0.731380D+00
      2  -0.733292D+00 -0.311613D+01 -0.682432D+00  0.731380D+00 -0.664717D+00
      3   0.886802D-01 -0.682432D+00 -0.144149D+01  0.618498D+00  0.100860D+01
                96            97            98            99           100 
      1   0.618498D+00 -0.112084D+01  0.625645D+00 -0.294148D+01 -0.569857D+01
      2   0.100860D+01  0.625645D+00  0.132905D+01 -0.311951D+01  0.156839D+00
      3  -0.132188D+01 -0.294148D+01 -0.311951D+01 -0.139722D+01 -0.209979D+00
               101           102           103           104           105 
      1   0.156839D+00 -0.209979D+00  0.672062D+00  0.487333D+00  0.134103D+01
      2  -0.327434D+01 -0.211627D+00  0.487333D+00 -0.211337D+00 -0.507287D+00
      3  -0.211627D+00 -0.226363D+01  0.134103D+01 -0.507287D+00  0.142855D+00
               106           107           108           109           110 
      1  -0.358588D-01  0.116276D+01 -0.526115D+01  0.395252D+01 -0.515788D+00
      2   0.116276D+01 -0.142404D+00  0.432442D+00 -0.515788D+00 -0.200727D+01
      3  -0.526115D+01  0.432442D+00  0.529738D+00 -0.153147D+00  0.907983D-01
               111           112           113           114           115 
      1  -0.153147D+00  0.496233D+01 -0.292317D+00  0.284822D+00  0.116028D+01
      2   0.907983D-01 -0.292317D+00  0.156302D+01 -0.771272D+00  0.440462D+00
      3  -0.901201D+00  0.284822D+00 -0.771272D+00  0.157653D+01 -0.184324D+01
               116           117           118           119           120 
      1   0.440462D+00 -0.184324D+01 -0.422167D+01 -0.503505D+00  0.784681D-02
      2  -0.109080D+01  0.378892D+01 -0.503505D+00  0.337044D+01  0.523003D+00
      3   0.378892D+01  0.223006D+01  0.784681D-02  0.523003D+00  0.138940D+01
               121           122           123           124           125 
      1   0.818336D+01  0.291415D+00  0.145415D+00  0.182915D+01 -0.121974D-01
      2   0.291415D+00  0.125601D+01 -0.578052D+00 -0.121974D-01 -0.106764D+01
      3   0.145415D+00 -0.578052D+00  0.152610D+01  0.198895D+01  0.316930D+01
               126           127           128           129           130 
      1   0.198895D+01  0.153933D+01 -0.174720D+01 -0.381457D+00 -0.153955D+01
      2   0.316930D+01 -0.174720D+01  0.223030D+01  0.437870D+00  0.198238D+01
      3   0.144459D+01 -0.381457D+00  0.437870D+00  0.325834D+00  0.420221D+00
               131           132           133           134           135 
      1   0.198238D+01  0.420221D+00 -0.414528D+00  0.457916D+00 -0.801155D-02
      2  -0.850058D+01 -0.147607D+01  0.457916D+00 -0.157600D+01 -0.360384D+00
      3  -0.147607D+01 -0.119735D+01 -0.801155D-02 -0.360384D+00 -0.223360D+00
               136           137           138           139           140 
      1  -0.484662D+01 -0.374286D+01 -0.626621D+00 -0.366747D+01 -0.430674D+01
      2  -0.374286D+01 -0.345089D+01 -0.468298D+00 -0.430674D+01 -0.645762D+01
      3  -0.626621D+00 -0.468298D+00 -0.678236D+00 -0.753813D+00 -0.970345D+00
               141           142           143           144           145 
      1  -0.753813D+00 -0.585524D+00 -0.705447D+00 -0.186115D+00 -0.127286D+02
      2  -0.970345D+00 -0.705447D+00 -0.115826D+01 -0.237133D+00  0.129669D+01
      3  -0.968465D+00 -0.186115D+00 -0.237133D+00 -0.178684D+00  0.575305D+00
               146           147           148           149           150 
      1   0.129669D+01  0.575305D+00  0.135761D+01 -0.165373D+01 -0.345708D+00
      2  -0.927993D+00 -0.186791D-01 -0.165373D+01  0.486379D+00  0.974426D-01
      3  -0.186791D-01 -0.101587D+01 -0.345708D+00  0.974426D-01  0.160250D+00
               151           152           153           154           155 
      1   0.529884D+00 -0.367951D+00 -0.746567D-01 -0.218941D+01  0.251934D+01
      2  -0.367951D+00  0.969419D-01  0.379643D-01  0.251934D+01 -0.271108D+01
      3  -0.746567D-01  0.379643D-01  0.893076D-01  0.547886D+00 -0.514132D+00
               156           157           158           159           160 
      1   0.547886D+00  0.224598D+01 -0.360639D+01 -0.734955D+00  0.486099D+00
      2  -0.514132D+00 -0.360639D+01  0.911358D+01  0.166684D+01 -0.725388D+00
      3  -0.464594D+00 -0.734955D+00  0.166684D+01  0.125243D+01 -0.165939D+00
               161           162           163           164           165 
      1  -0.725388D+00 -0.165939D+00  0.336103D+01  0.235396D+01  0.177645D+00
      2   0.174507D+01  0.392246D+00  0.235396D+01  0.237253D+01  0.223411D+00
      3   0.392246D+00  0.259452D+00  0.177645D+00  0.223411D+00  0.338398D+00
               166           167           168           169           170 
      1   0.273423D+01  0.280570D+01  0.379383D+00  0.825624D-01  0.369838D+00
      2   0.280570D+01  0.563719D+01  0.766534D+00  0.369838D+00  0.924713D+00
      3   0.379383D+00  0.766534D+00  0.876230D+00 -0.186119D+00  0.116687D+00
               171 
      1  -0.186119D+00
      2   0.116687D+00
      3   0.101430D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.572188D+00  0.387577D+01  0.158411D+01  0.772204D+00 -0.556531D+01
      2   0.135907D+01  0.816208D+00  0.118851D+02  0.268576D+01 -0.238978D+01
      3  -0.828886D+00 -0.804024D+01 -0.163722D+01 -0.376510D+01  0.638749D+01
                 6             7             8             9            10 
      1  -0.757959D+01  0.258483D+01  0.345731D+00  0.523526D-01  0.283900D-01
      2  -0.785738D+01  0.561336D+01 -0.770279D+01  0.515469D+01 -0.442319D+00
      3   0.181403D+01 -0.342412D+01  0.222297D+01  0.540176D+01  0.411817D+01
                11            12            13            14            15 
      1   0.425064D+00 -0.316931D-01  0.107828D+01  0.988791D+00 -0.334565D+01
      2   0.897099D+00 -0.326385D+01  0.113517D+01  0.529822D+01  0.138704D+01
      3   0.246261D+01 -0.322131D+00  0.121161D+02 -0.703569D+01 -0.754496D+01
                16            17            18            19            20 
      1  -0.190535D+01  0.709699D+00 -0.151885D+01  0.207042D+01 -0.198542D+01
      2  -0.147449D+02  0.469324D+01 -0.533363D+01  0.390658D+01 -0.199492D+01
      3   0.314742D+00 -0.873264D+01 -0.141224D+01 -0.243439D+01  0.204705D+01
                21            22            23            24            25 
      1  -0.911613D+00 -0.147150D+01  0.579461D+01  0.350656D+01 -0.491495D+00
      2  -0.283288D+01 -0.293194D+01  0.498989D+01  0.726451D+01 -0.169112D+01
      3   0.101634D+01  0.337163D+01 -0.484202D+01 -0.456108D+01  0.230463D+00
                26            27            28            29            30 
      1   0.438068D+01  0.432107D+01  0.459219D-01 -0.538551D+00  0.704596D+00
      2   0.350098D+01  0.873822D+01 -0.154601D+01  0.231706D+00  0.194584D+01
      3  -0.335036D+01 -0.374910D+01  0.318776D+01 -0.275706D+01 -0.129754D+00
                31            32            33            34            35 
      1  -0.751123D-01  0.137899D+01 -0.259611D+01  0.781205D+00  0.114754D+01
      2  -0.522872D+00 -0.315979D+01 -0.373081D+01  0.258614D+00 -0.284167D+01
      3   0.140308D+01  0.116668D+02  0.366495D+01  0.736235D+00  0.471995D+01
                36            37            38            39            40 
      1  -0.789110D+00 -0.259540D+01 -0.159477D+01 -0.118833D+01  0.219167D-01
      2  -0.219741D+01 -0.695899D+01 -0.583790D+00  0.103734D+02 -0.163842D+00
      3   0.272222D+01 -0.142742D+02 -0.591189D+01  0.367789D+01 -0.348964D+00
                41            42            43            44            45 
      1   0.568626D+01  0.170229D+01  0.790027D+00  0.614753D+01 -0.451176D+01
      2  -0.634440D+01 -0.253607D+01  0.276704D+01 -0.353945D+01  0.162982D+02
      3   0.121552D+02  0.803720D+01  0.320182D+01  0.822420D+01  0.317989D+01
                46            47            48            49            50 
      1   0.550627D+00  0.169595D+00  0.184827D+00  0.775377D+00 -0.211844D+01
      2   0.215954D+01 -0.142353D+01 -0.902230D+00 -0.112843D+01 -0.874491D+00
      3  -0.151339D+01  0.495382D+01  0.849549D+00  0.160942D+02 -0.133500D+01
                51            52            53            54            55 
      1   0.115641D+01  0.117218D+01  0.102289D+02  0.180212D+01 -0.568205D+00
      2   0.296218D+00 -0.146804D+02 -0.242718D+00 -0.935086D+00  0.909508D+00
      3   0.217053D+01  0.485277D+00  0.327250D+00 -0.105679D+01 -0.119138D+01
                56            57            58            59            60 
      1  -0.835613D-01  0.533722D-01 -0.162291D+00 -0.758548D+01 -0.510852D+01
      2   0.845421D+00 -0.102634D+00  0.687219D+00  0.363362D+01  0.444735D+01
      3   0.656079D+00 -0.491432D+00  0.262910D+01 -0.175692D+02 -0.397068D+01
                61            62            63            64            65 
      1  -0.412811D+00 -0.186840D+01 -0.226888D+01  0.762625D+00  0.117641D+01
      2  -0.926005D+00  0.307159D+01  0.162094D+01 -0.370435D+01  0.498688D+00
      3   0.600869D+00 -0.613295D+01 -0.357408D+01 -0.299695D-02  0.889721D+00
                66            67            68            69            70 
      1   0.120280D+01  0.502083D+00 -0.426713D+00 -0.601704D+00  0.627914D+00
      2  -0.519014D+01 -0.115176D+00 -0.208667D+01  0.180450D+01 -0.482754D+01
      3  -0.139557D+01  0.148613D+01 -0.184098D+01  0.202633D+01 -0.132990D+01
                71            72            73            74            75 
      1   0.280841D+01  0.493958D+01  0.140308D+01 -0.165633D+01 -0.656090D+00
      2   0.287730D+01 -0.215731D+02  0.768585D+01 -0.589263D+00  0.502427D+01
      3   0.277827D+01 -0.383308D+01  0.912958D+01 -0.690199D+01 -0.791495D+00
                76            77            78            79            80 
      1  -0.112897D+01  0.196260D+00 -0.792108D+00 -0.612069D+00  0.236103D+00
      2  -0.666693D+00  0.148367D+01 -0.126980D+01  0.131829D+01  0.649530D-01
      3  -0.310005D+01  0.123512D+01 -0.789078D+00 -0.705334D+00 -0.875414D+00
                81            82            83            84            85 
      1   0.176384D+00 -0.842409D+00 -0.708271D+00  0.987235D+00 -0.119924D+01
      2  -0.115971D+01 -0.270982D+01  0.150843D+01 -0.566697D+00  0.143750D+01
      3   0.423949D+00  0.518088D+01 -0.473696D+01 -0.148383D+01  0.382094D+01
                86            87            88            89            90 
      1   0.322087D+00 -0.228170D+01  0.416001D+01  0.669860D+00 -0.409309D+00
      2   0.103331D+01  0.141852D+01 -0.130459D+02  0.168160D+01  0.256802D+01
      3  -0.607219D+01 -0.618401D+00 -0.182488D+01  0.345488D+00 -0.516290D+01
                91            92            93            94            95 
      1   0.440399D-01  0.262879D+00 -0.162919D+01  0.118408D+01 -0.139532D+00
      2   0.107583D+01  0.125616D+01  0.239753D+01 -0.115391D+01 -0.257996D+01
      3  -0.382005D+01 -0.978714D+01 -0.150431D+01  0.609257D+01 -0.663251D+00
                96            97            98            99           100 
      1  -0.158978D+01 -0.641409D+01  0.391807D+01  0.910719D+00  0.901301D-01
      2   0.386344D+01 -0.316353D+01  0.994556D+01  0.331258D+01 -0.874533D+00
      3   0.174109D+01  0.858070D+00  0.267378D+01 -0.430024D+01  0.232163D+01
               101           102           103           104           105 
      1   0.252174D+00  0.673068D+00  0.104072D+00 -0.283722D+01  0.102376D+01
      2  -0.124391D+00  0.570529D+01 -0.406109D+01 -0.203804D+00 -0.928950D+00
      3  -0.613732D+01 -0.720783D-01  0.119573D+02  0.153058D+01 -0.504572D+00
               106           107           108           109           110 
      1   0.195372D+01  0.110570D+02  0.245204D+01  0.487933D+00 -0.213311D+00
      2   0.706466D+01 -0.232632D+01 -0.121145D+01  0.155440D+01  0.260441D+01
      3   0.353617D+01 -0.279648D+00  0.920442D+00 -0.226868D+01 -0.132070D+02
               111           112           113           114           115 
      1   0.166053D+01 -0.111187D+01  0.298975D+00 -0.238768D+01  0.520165D+01
      2   0.138466D+01  0.133433D+01  0.259169D+01 -0.353860D+01 -0.781122D+01
      3  -0.236039D+01  0.353089D+01  0.731707D+00 -0.166396D+01 -0.208244D+00
               116           117           118           119           120 
      1   0.621758D+00 -0.965612D+00 -0.141242D+01 -0.771776D-01 -0.219359D+01
      2  -0.900088D+01 -0.388113D+01 -0.139005D+01  0.301138D+00 -0.133602D+01
      3  -0.273022D+01  0.442231D+01 -0.145339D+01 -0.356117D-02  0.100171D+01
               121           122           123           124           125 
      1   0.905689D+00 -0.508139D+00 -0.190682D+01 -0.713753D+01  0.302771D+01
      2   0.329009D+01 -0.677511D+00 -0.107835D+01 -0.124095D+02 -0.541619D+00
      3   0.179387D+01  0.558881D+01 -0.443557D+00 -0.167103D+01  0.432302D+00
               126           127           128           129           130 
      1  -0.508583D-01  0.215428D-01 -0.244841D+00  0.148332D+01  0.193136D-01
      2  -0.445867D+00  0.122251D+01 -0.884243D+00  0.101366D+00 -0.118966D+01
      3   0.621004D+01 -0.571589D+01  0.370875D+01  0.943444D+00  0.670744D+01
               131           132           133           134           135 
      1   0.746681D+00 -0.409691D+01 -0.479307D+00  0.207307D+01 -0.343741D+00
      2   0.180322D+01 -0.120355D+00 -0.157565D+01  0.377722D+00 -0.101542D+00
      3  -0.851816D+01 -0.189755D+01  0.129608D+01 -0.152954D+01 -0.714619D-01
               136           137           138           139           140 
      1   0.179375D+00  0.547339D+00 -0.223907D+01 -0.106354D+00  0.450020D+00
      2  -0.302981D-01  0.648613D-01  0.290742D+01  0.687367D+00  0.132706D+01
      3  -0.142313D+01 -0.463802D+01 -0.252438D+00 -0.340535D+01 -0.107945D+02
               141           142           143           144           145 
      1  -0.319564D+01  0.841810D+00  0.146369D+01 -0.352738D+00 -0.101932D+00
      2   0.353493D+01 -0.827347D+00 -0.459895D+00  0.384142D+00 -0.856036D+00
      3  -0.127102D+01 -0.715532D+00 -0.204612D+01 -0.271641D+00  0.551536D+00
               146           147           148           149           150 
      1  -0.207770D+00  0.656254D+00  0.483134D-01 -0.309393D-02 -0.392131D+00
      2  -0.963364D-01  0.623732D+01  0.131413D+01 -0.287769D+00 -0.903343D+00
      3  -0.527905D+01  0.177167D+00 -0.377616D+01  0.151458D+01  0.230260D+00
               151           152           153           154           155 
      1  -0.354600D+00  0.462165D+00  0.665972D-02 -0.173746D+00 -0.135709D+00
      2  -0.247073D+01  0.113126D+00 -0.254213D+00 -0.275165D+00  0.374070D+00
      3  -0.135308D+01  0.482679D+00  0.373116D-01  0.669313D+00 -0.232607D+01
               156           157           158           159           160 
      1   0.161358D+01  0.247423D+00  0.301007D+00 -0.437161D+01 -0.609875D+00
      2   0.151759D+01  0.410590D+00 -0.235801D+01 -0.323667D+01 -0.464114D+00
      3  -0.222280D+00 -0.110607D+01  0.131927D+02  0.214744D+01 -0.298409D+00
               161           162           163           164           165 
      1   0.183710D+01 -0.537019D+00  0.582221D+00  0.736479D+00 -0.195413D+01
      2   0.130235D+00 -0.595409D+00 -0.182952D+01 -0.900141D+00  0.728369D+00
      3   0.265539D+01  0.453233D+00  0.933358D+01  0.389140D+01  0.197152D+00
               166           167           168           169           170 
      1   0.340378D+00  0.218668D+00 -0.315686D+01  0.737746D+00  0.185025D+01
      2  -0.104854D+01 -0.119848D+01  0.118383D+01 -0.166751D+01 -0.236073D+00
      3   0.778193D+01  0.510305D+01  0.691200D+00  0.270812D+00  0.814623D+00
               171 
      1  -0.113364D+00
      2   0.353564D+00
      3  -0.339634D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204724D+02 -0.298750D+01  0.170437D+01 -0.343839D+01  0.449528D+01
      2  -0.140775D+02 -0.423512D+00 -0.728016D+01  0.962980D+00  0.439366D+01
      3  -0.639487D+01  0.341102D+01  0.557579D+01  0.247541D+01 -0.888894D+01
      4  -0.524868D+01  0.136185D+02 -0.247996D+01  0.159327D+02 -0.149875D+02
      5   0.155484D+02 -0.308969D+01  0.213303D+02 -0.760728D+01  0.275150D+01
      6  -0.446698D+01  0.523793D+01 -0.106851D+01  0.479719D+01 -0.989457D+01
                 6             7             8             9            10 
      1   0.766406D+01  0.393014D+01  0.505768D+01  0.215128D+00  0.638135D+01
      2   0.403264D+01 -0.125522D+02  0.330407D+01 -0.117736D+02 -0.248628D+01
      3  -0.116967D+02  0.862202D+01 -0.836175D+01  0.115585D+02 -0.389507D+01
      4   0.709254D+00 -0.550230D+01 -0.153934D+01 -0.140946D+02 -0.269032D+01
      5  -0.131899D+02  0.291960D+02 -0.120400D+02  0.214495D+02 -0.559030D+01
      6   0.302296D+01 -0.449812D+01  0.675659D+01 -0.124719D+02  0.347420D+01
                11            12            13            14            15 
      1  -0.326682D+01  0.136750D+01 -0.901235D+01  0.113204D+01  0.561540D+01
      2   0.149411D+01  0.156705D+01  0.701735D+01 -0.590692D+01 -0.943859D+01
      3   0.177272D+01 -0.293455D+01  0.199500D+01  0.477488D+01  0.382319D+01
      4  -0.116233D+02  0.582247D+01 -0.131277D+02  0.168234D+02  0.143063D+02
      5   0.610700D+01 -0.162390D+02  0.120461D+02  0.136970D+02  0.417083D+00
      6   0.162658D+01  0.722592D+00  0.537585D+01 -0.559335D+01 -0.543648D+01
                16            17            18            19            20 
      1  -0.267623D+01  0.505893D+01 -0.532593D+01 -0.106635D+01  0.223746D+01
      2   0.896764D+01 -0.544949D+01  0.739905D+01  0.500877D-01  0.244963D+00
      3  -0.629142D+01  0.390565D+00 -0.207311D+01  0.101626D+01 -0.248242D+01
      4   0.117585D+02  0.139017D+02  0.661240D+01  0.161466D+01 -0.299987D+01
      5  -0.332673D+02  0.585407D+01 -0.101861D+02  0.769779D+00 -0.405718D+00
      6   0.375562D+01 -0.104276D+02  0.480607D+01  0.150238D+01 -0.191342D+01
                21            22            23            24            25 
      1   0.550233D+01  0.454838D+01 -0.633121D+01 -0.624023D+01  0.447764D+01
      2   0.706040D+00 -0.271696D+01 -0.388568D+00 -0.387566D+01 -0.249183D+01
      3  -0.620837D+01 -0.183142D+01  0.671978D+01  0.101159D+02 -0.198582D+01
      4  -0.162432D+01 -0.350016D+00  0.881543D+01  0.736001D+01 -0.130403D+01
      5  -0.251403D+01  0.348244D+01  0.556317D+01  0.106061D+02  0.464360D+01
      6  -0.132453D+01 -0.546853D+00  0.691537D+01  0.772864D+01 -0.835413D+00
                26            27            28            29            30 
      1  -0.370744D+01 -0.876037D+01  0.231600D+01 -0.310928D+01 -0.168270D+01
      2  -0.265624D+01 -0.614096D+01  0.152819D+01  0.379005D+00  0.442795D+00
      3   0.636368D+01  0.149013D+02 -0.384420D+01  0.273027D+01  0.123991D+01
      4   0.655777D+01  0.530410D+01 -0.743916D+01  0.101532D+02  0.206846D+01
      5   0.396266D+01  0.125484D+02 -0.343661D+01  0.196174D+01  0.535542D+01
      6   0.598985D+01  0.438415D+01  0.276002D+01 -0.178721D+01 -0.856172D+00
                31            32            33            34            35 
      1  -0.248857D+01 -0.952346D+01 -0.325118D+01 -0.146449D+01 -0.406697D+01
      2  -0.170709D+01  0.182227D+02  0.478486D+01  0.866587D-01  0.358259D+01
      3   0.419566D+01 -0.869926D+01 -0.153368D+01  0.137783D+01  0.484383D+00
      4   0.124198D+02 -0.262930D+02 -0.796264D+01  0.293166D+01 -0.962568D+01
      5   0.284305D+01 -0.716417D+01 -0.740881D+01  0.690715D+01 -0.624018D+01
      6  -0.294523D+01  0.103820D+02  0.768003D+01 -0.259348D+01  0.882201D+01
                36            37            38            39            40 
      1  -0.321125D+01 -0.520246D+02  0.722910D+01  0.992067D+01  0.168375D+02
      2   0.113171D+01  0.306805D+02 -0.259263D+01  0.927438D+00 -0.104387D+02
      3   0.207954D+01  0.213441D+02 -0.463647D+01 -0.108481D+02 -0.639872D+01
      4  -0.706955D+01  0.840337D+01  0.954806D+01 -0.444437D+01  0.989802D+01
      5  -0.568166D+01  0.116826D+02 -0.695262D+01  0.138889D+02 -0.125028D+02
      6   0.626895D+01 -0.488145D+01 -0.364498D+01  0.551330D+01 -0.488340D+01
                41            42            43            44            45 
      1   0.738094D+01 -0.397153D+01  0.994427D+00 -0.234763D+01  0.239974D+02
      2  -0.148184D+02 -0.313924D+01  0.170534D+01 -0.634223D+01  0.650795D+00
      3   0.743749D+01  0.711077D+01 -0.269977D+01  0.868986D+01 -0.246482D+02
      4  -0.156297D+02 -0.159690D+02 -0.813213D+01 -0.154890D+02  0.136308D+01
      5  -0.169179D+02  0.807041D+00  0.141857D+02 -0.123366D+01  0.135773D+02
      6  -0.225323D+01  0.458475D+01  0.387532D+01  0.360047D+01  0.379167D+01
                46            47            48            49            50 
      1  -0.183303D+02  0.370209D+01  0.155657D+01 -0.712324D+00 -0.907694D+01
      2   0.418671D+01 -0.267413D+01 -0.127879D+01  0.463999D+01  0.142839D+02
      3   0.141436D+02 -0.102795D+01 -0.277785D+00 -0.392767D+01 -0.520694D+01
      4  -0.125793D+01  0.462208D+01 -0.643448D+00 -0.111890D+02  0.178972D+01
      5   0.733265D+01 -0.708796D+00  0.372057D+01 -0.595881D+01 -0.958540D+00
      6  -0.315133D+01  0.247871D-01 -0.214157D+01  0.223659D+01  0.428492D+01
                51            52            53            54            55 
      1  -0.867820D+00  0.106054D+01 -0.121993D+01 -0.786796D+01  0.658660D+01
      2   0.602698D+01  0.221211D+01  0.315154D+01 -0.348376D+01 -0.189972D+01
      3  -0.515916D+01 -0.327265D+01 -0.193161D+01  0.113517D+02 -0.468688D+01
      4  -0.141153D+01 -0.418129D+01 -0.743119D+00  0.108157D+00  0.306805D+01
      5   0.171279D+00  0.591505D+01 -0.917567D-01 -0.102567D+00 -0.784461D+00
      6  -0.120778D+01 -0.103090D+01  0.462348D+01 -0.296647D+01  0.256422D+00
                56            57            58            59            60 
      1   0.291628D+01 -0.880906D+00  0.582888D+01 -0.972573D+01 -0.700660D+00
      2  -0.118044D+01  0.232256D+00 -0.821735D+00  0.253672D+02  0.565858D+01
      3  -0.173584D+01  0.648651D+00 -0.500714D+01 -0.156414D+02 -0.495792D+01
      4   0.234428D+01  0.160827D+01  0.956187D+01  0.315294D+02  0.540778D+01
      5   0.983315D+00 -0.462567D+00 -0.106328D+01  0.612359D+01  0.836516D+01
      6   0.526967D+00 -0.831988D+00 -0.806599D+00 -0.354363D+01  0.438896D+01
                61            62            63            64            65 
      1   0.363683D+01 -0.416861D+00 -0.420653D+01 -0.596802D+00  0.823236D+00
      2  -0.121599D+01  0.584924D+01  0.298092D+01 -0.294508D+01 -0.502038D+00
      3  -0.242084D+01 -0.543238D+01  0.122561D+01  0.354188D+01 -0.321198D+00
      4   0.493645D+01  0.111023D+02  0.528073D+01 -0.141224D+01 -0.158295D+01
      5   0.283569D+00  0.562275D+01  0.391487D+01 -0.138369D+01  0.999256D+00
      6   0.112584D+00  0.327072D+01  0.258848D+01 -0.772032D+00  0.233469D+01
                66            67            68            69            70 
      1  -0.103239D+02 -0.145693D+01 -0.509920D+01  0.294514D+01 -0.879614D+01
      2  -0.682437D+00  0.982625D+00  0.207942D+01 -0.998574D+00  0.435273D+01
      3   0.110064D+02  0.474309D+00  0.301978D+01 -0.194657D+01  0.444341D+01
      4  -0.443309D+00  0.874273D+00  0.297297D+01 -0.306361D+01 -0.317449D+01
      5  -0.240045D+01  0.767605D+00 -0.236226D+01  0.243663D+01  0.761717D+01
      6  -0.275309D+01  0.509245D+00 -0.219564D+01  0.754723D+01  0.104058D+00
                71            72            73            74            75 
      1   0.384020D+01 -0.264598D+02  0.849001D+02 -0.463645D+01 -0.687784D+01
      2  -0.227869D+00 -0.140875D+02 -0.469240D+02  0.358929D+01  0.639115D+01
      3  -0.361233D+01  0.405473D+02 -0.379761D+02  0.104716D+01  0.486697D+00
      4  -0.510314D+01  0.294123D+01  0.364732D+01  0.105735D+02 -0.527883D+00
      5   0.506443D+01 -0.331948D+02 -0.244465D+02  0.907846D+00  0.130563D+02
      6   0.760118D+01 -0.123775D+02  0.942804D+00 -0.276060D+01  0.914446D+00
                76            77            78            79            80 
      1  -0.145276D+02  0.668874D+01  0.122733D+01  0.263292D+00  0.216425D+00
      2   0.868520D+01 -0.170558D+01 -0.111573D+01  0.182673D+01  0.512920D+00
      3   0.584245D+01 -0.498316D+01 -0.111602D+00 -0.209003D+01 -0.729345D+00
      4   0.925087D+01 -0.246474D+01  0.651859D+00  0.637945D+00  0.137394D+01
      5   0.536209D+01 -0.605175D+00 -0.342520D+01  0.109152D+02 -0.569577D+00
      6  -0.237732D+01  0.131450D+01  0.743449D+00  0.422890D+00  0.850265D+00
                81            82            83            84            85 
      1   0.452702D+01  0.120479D+02  0.105630D+02  0.175196D+01  0.386682D+00
      2  -0.502439D+01 -0.850506D+01 -0.841645D+01  0.226633D+00  0.790809D+01
      3   0.497372D+00 -0.354281D+01 -0.214655D+01 -0.197859D+01 -0.829477D+01
      4  -0.239350D+00  0.704788D+01 -0.177527D+02 -0.315715D+01  0.101475D+02
      5  -0.472025D+01 -0.165674D+01 -0.268865D+01 -0.372598D+01  0.532238D+00
      6  -0.579818D+00 -0.968598D+00 -0.490399D+00 -0.255030D+01  0.442625D+01
                86            87            88            89            90 
      1   0.847302D+01  0.438188D+01 -0.135094D+01  0.363683D+01 -0.154867D+02
      2  -0.131467D+02 -0.557624D+01  0.378607D+01 -0.933610D+01  0.191564D+01
      3   0.467365D+01  0.119437D+01 -0.243514D+01  0.569927D+01  0.135710D+02
      4   0.137858D+02  0.171245D+01 -0.518532D+00  0.183763D+01  0.588082D+01
      5   0.179272D+01  0.802801D+00  0.342998D+01  0.508651D+01  0.379605D+01
      6  -0.813910D+01  0.406146D+01 -0.242206D+01  0.150798D+02  0.398337D+01
                91            92            93            94            95 
      1  -0.183733D+01 -0.229422D+02 -0.530621D+01  0.268327D+02  0.557039D+01
      2  -0.132008D+01  0.153353D+02  0.104422D+01 -0.239208D+02 -0.820874D+01
      3   0.315742D+01  0.760689D+01  0.426199D+01 -0.291190D+01  0.263836D+01
      4  -0.148547D+02  0.373927D+01  0.112256D+01  0.118904D+01 -0.101108D+02
      5  -0.511848D+00  0.813916D-01  0.510670D+01 -0.483093D+01 -0.664220D+01
      6  -0.229904D+00  0.200700D+01  0.477980D+01 -0.625782D+01 -0.589040D+01
                96            97            98            99           100 
      1   0.788712D+00  0.589225D+01  0.230676D+01  0.232191D+01 -0.101605D+02
      2  -0.107753D+01 -0.890576D+01 -0.614167D+01 -0.807389D+01  0.735722D+01
      3   0.288817D+00  0.301351D+01  0.383491D+01  0.575198D+01  0.280330D+01
      4  -0.762658D+01 -0.236714D+01 -0.814251D+01  0.150887D+02  0.219966D+01
      5   0.784162D+01  0.189448D+02  0.153512D+02  0.755829D+01  0.190676D+01
      6   0.297376D+01  0.744982D+01  0.114817D+02 -0.184731D+00  0.126924D+01
               101           102           103           104           105 
      1   0.404327D+01  0.254906D+01 -0.888260D+01 -0.218617D+02 -0.763433D+01
      2  -0.306141D+01 -0.115959D+01  0.775247D+01  0.182583D+02  0.814074D+01
      3  -0.981860D+00 -0.138947D+01  0.113013D+01  0.360340D+01 -0.506415D+00
      4   0.212380D+02  0.142876D+01 -0.191929D+02  0.381291D+01  0.333593D+01
      5   0.120096D+01  0.134661D+02 -0.104099D+02  0.107863D+01 -0.136525D+01
      6  -0.128641D+00 -0.161474D+01  0.289444D+01  0.384438D+01 -0.160824D+01
               106           107           108           109           110 
      1   0.860034D+00 -0.775812D+01  0.148192D+02  0.952116D+01  0.209674D+02
      2   0.171215D+01  0.609902D+01 -0.174077D+02 -0.970868D+01 -0.141164D+02
      3  -0.257218D+01  0.165910D+01  0.258850D+01  0.187519D+00 -0.685101D+01
      4  -0.117224D+02  0.186827D+01 -0.350264D+01  0.156072D+02 -0.563301D+01
      5   0.353081D+02 -0.348655D+01 -0.228144D+01  0.416056D+01 -0.119873D+01
      6  -0.221149D+01  0.479764D+01 -0.356316D+01 -0.413630D+01 -0.577476D+00
               111           112           113           114           115 
      1   0.342628D+01 -0.205756D+02  0.115912D+02  0.366501D+01 -0.405904D+01
      2  -0.805966D+00  0.176091D+02 -0.149663D+02 -0.534407D+01  0.587248D+01
      3  -0.262032D+01  0.296647D+01  0.337510D+01  0.167906D+01 -0.181345D+01
      4  -0.266627D+01  0.111250D+02  0.306501D+01  0.493494D+01 -0.744605D+00
      5  -0.117271D-01  0.521915D-01  0.548974D+01 -0.759035D+01  0.123334D+02
      6  -0.377719D+01  0.402232D+01 -0.893189D+01  0.429460D+01 -0.669819D+01
               116           117           118           119           120 
      1   0.182076D+01 -0.557573D+01 -0.273796D+01 -0.171692D+02 -0.328447D+01
      2  -0.837865D+01 -0.330437D+01  0.158396D+01  0.133014D+02  0.191319D+00
      3   0.655790D+01  0.888010D+01  0.115400D+01  0.386777D+01  0.309315D+01
      4   0.770443D+01 -0.145049D+02 -0.122396D+02 -0.108177D+02 -0.619774D+00
      5  -0.148075D+02 -0.809695D+01 -0.276196D+01 -0.151900D+01 -0.264103D+01
      6   0.149780D+02  0.309535D+01  0.216392D+01  0.118951D+01  0.519405D+01
               121           122           123           124           125 
      1   0.457105D+01  0.316832D+01  0.302070D+01  0.507719D+00  0.380244D+01
      2  -0.142558D+02 -0.604836D+01 -0.304124D+01 -0.575303D+01 -0.633909D+01
      3   0.968479D+01  0.288004D+01  0.205425D-01  0.524531D+01  0.253665D+01
      4   0.496829D+01 -0.134466D+02 -0.220044D+01  0.225004D+01 -0.179202D+01
      5   0.275126D+01 -0.218827D+01  0.949909D+00  0.195835D+01 -0.161101D+01
      6  -0.689784D+01 -0.484053D+01  0.379275D+01  0.588900D+01  0.115443D+02
               126           127           128           129           130 
      1  -0.148274D+02 -0.525008D+01  0.878061D+01  0.193916D+01  0.733773D+01
      2   0.168997D+01  0.669400D+01 -0.107335D+02 -0.149703D+01 -0.912601D+01
      3   0.131374D+02 -0.144392D+01  0.195293D+01 -0.442137D+00  0.178828D+01
      4  -0.283959D+01 -0.367582D+01  0.703363D+01  0.115061D+01  0.518043D+01
      5   0.851205D+00 -0.807132D+00  0.116214D+01  0.133751D+01  0.916932D+00
      6   0.631566D+00  0.202534D+01 -0.265635D+01 -0.229293D+01 -0.234594D+01
               131           132           133           134           135 
      1  -0.325182D+02 -0.628191D+01  0.146659D+01 -0.596222D+01 -0.235862D+01
      2   0.433689D+02  0.573561D+01 -0.174084D+01  0.723468D+01  0.267792D+01
      3  -0.108507D+02  0.546307D+00  0.274257D+00 -0.127246D+01 -0.319302D+00
      4   0.647352D+00  0.427811D+00  0.108130D+01  0.261305D+00 -0.133048D+01
      5   0.601910D+00  0.155515D+00  0.744761D+00 -0.626913D+00 -0.438771D+00
      6   0.102828D+02  0.805838D+01 -0.709470D+00  0.366866D+01  0.232542D+01
               136           137           138           139           140 
      1   0.215332D+02  0.134494D+02  0.228955D+01  0.909492D+01  0.342008D+01
      2  -0.430183D+01  0.813314D+00 -0.928417D+00  0.571259D+01  0.159005D+02
      3  -0.172313D+02 -0.142627D+02 -0.136113D+01 -0.148075D+02 -0.193206D+02
      4   0.319125D+02  0.291780D+02  0.389373D+01  0.323702D+02  0.425129D+02
      5   0.608159D+01  0.443179D+01  0.636366D+01  0.610047D+01  0.708016D+01
      6   0.243631D+01  0.217101D+01  0.336137D+01  0.382022D+01  0.532177D+01
               141           142           143           144           145 
      1   0.706488D+00  0.129570D+01  0.242648D+00 -0.252717D+00  0.960424D+02
      2   0.604847D+00  0.809810D+00  0.216703D+01  0.946231D+00 -0.538574D+02
      3  -0.131134D+01 -0.210551D+01 -0.240968D+01 -0.693514D+00 -0.421850D+02
      4   0.620181D+01  0.541703D+01  0.671626D+01  0.293602D+01 -0.148100D+02
      5   0.627728D+01  0.236677D+01  0.254823D+01  0.150412D+01 -0.465713D+01
      6   0.603194D+01  0.181584D+01  0.276979D+01  0.175737D+01 -0.197113D+01
               146           147           148           149           150 
      1  -0.882447D+01 -0.374684D+01 -0.840054D+01  0.960275D+01  0.149855D+01
      2   0.424740D+01  0.251745D+01  0.362123D+01 -0.436166D+01 -0.120421D+01
      3   0.457707D+01  0.122939D+01  0.477931D+01 -0.524110D+01 -0.294337D+00
      4   0.994785D+01  0.268667D+00  0.156774D+02 -0.466156D+01 -0.931142D+00
      5   0.784951D-01  0.105409D+02  0.277226D+01 -0.844293D+00 -0.140092D+01
      6  -0.285797D-01 -0.790519D+00 -0.392619D+00 -0.176585D+00  0.150028D+01
               151           152           153           154           155 
      1  -0.415767D+01  0.160628D+01  0.302886D+01  0.500216D+01 -0.434142D+01
      2   0.228764D+01 -0.856199D+00 -0.204656D+01  0.339822D+01 -0.529872D+01
      3   0.187004D+01 -0.750079D+00 -0.982300D+00 -0.840038D+01  0.964014D+01
      4   0.303235D+01 -0.110757D+01 -0.724086D+00 -0.178612D+02  0.223413D+02
      5   0.276639D+01 -0.493701D+00 -0.866470D+00 -0.340430D+01  0.370061D+01
      6  -0.187639D+00  0.707496D+00  0.259206D+00  0.251690D+01 -0.281691D+01
               156           157           158           159           160 
      1  -0.916352D+00  0.762203D+00 -0.158059D+02 -0.297630D+01  0.275334D-01
      2  -0.231717D+00 -0.110224D+02  0.374117D+02  0.460278D+01 -0.170024D+01
      3   0.114807D+01  0.102602D+02 -0.216058D+02 -0.162648D+01  0.167271D+01
      4   0.408377D+01  0.233730D+02 -0.456488D+02 -0.813483D+01  0.462718D+01
      5   0.422371D+01  0.413989D+01 -0.741543D+01 -0.594752D+01  0.174074D+01
      6  -0.265871D+01 -0.416413D+01  0.101787D+02  0.851434D+01 -0.171455D+01
               161           162           163           164           165 
      1  -0.266321D+01 -0.191053D+01 -0.404012D+01 -0.626907D+01 -0.969097D+00
      2   0.601830D+01  0.259366D+01  0.616718D+01  0.901170D+01  0.608203D+00
      3  -0.335509D+01 -0.683133D+00 -0.212706D+01 -0.274263D+01  0.360894D+00
      4  -0.879389D+01 -0.301298D+01  0.886304D+01  0.829748D+01  0.761053D+00
      5  -0.220260D+01 -0.179180D+01  0.472695D+00  0.550528D+00  0.162924D+01
      6   0.424002D+01  0.271598D+01  0.123019D+01  0.168609D+01  0.217470D+01
               166           167           168           169           170 
      1  -0.728778D+01 -0.197308D+02 -0.332389D+01 -0.917756D+00 -0.318115D+01
      2   0.102833D+02  0.265657D+02  0.269321D+01  0.173093D+01  0.407358D+01
      3  -0.299556D+01 -0.683497D+01  0.630678D+00 -0.813178D+00 -0.892428D+00
      4   0.846052D+01  0.836192D+01  0.765957D+00  0.974423D+00  0.101270D+01
      5   0.606424D+00  0.919827D+00  0.149745D+01  0.579907D+00  0.787691D+00
      6   0.204996D+01  0.453640D+01  0.535364D+01  0.350237D+00  0.187125D+01
               171 
      1  -0.682507D+00
      2   0.134047D+01
      3  -0.657966D+00
      4   0.180284D+01
      5   0.675396D+00
      6   0.113783D+01
 Leave Link  716 at Thu Aug 12 22:40:56 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126569D+03  0.874074D+00 -0.148567D+01
      2   0.874074D+00  0.102226D+03  0.560187D+01
      3  -0.148567D+01  0.560187D+01  0.720247D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.321522D+00 -0.798579D+01 -0.231849D+01
      2   0.116419D+02 -0.100468D+02  0.743631D+01
      3   0.180406D+01  0.404395D+02  0.954194D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.917873D+02 -0.401003D+01  0.757808D+01
      2   0.312398D+02  0.102955D+02  0.691319D+01
      3   0.605476D+02 -0.628545D+01 -0.144913D+02
      4   0.146939D+02 -0.802282D+02 -0.255427D+02
      5  -0.168402D+02 -0.262485D+02  0.233221D+02
      6  -0.108541D+02 -0.143376D+02  0.937660D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.544179D+01 -0.987359D+00  0.231341D+01 -0.239857D+01  0.196876D+01
      2  -0.987359D+00  0.841856D+00 -0.366628D+00  0.196876D+01 -0.297361D+01
      3   0.231341D+01 -0.366628D+00  0.276297D+01 -0.112054D+01  0.131057D-01
                 6             7             8             9            10 
      1  -0.112054D+01  0.545579D+01 -0.965160D+00  0.374478D+01 -0.364465D+01
      2   0.131057D-01 -0.965160D+00 -0.104108D+01 -0.305555D+01  0.262464D-01
      3  -0.335625D+01  0.374478D+01 -0.305555D+01  0.310522D+01 -0.634374D+00
                11            12            13            14            15 
      1   0.262464D-01 -0.634374D+00 -0.610341D+00 -0.223143D+01  0.177506D+01
      2  -0.772127D+00  0.137124D+01 -0.223143D+01  0.371928D+01  0.292809D+01
      3   0.137124D+01 -0.245149D+01  0.177506D+01  0.292809D+01  0.336859D+00
                16            17            18            19            20 
      1  -0.393012D+01  0.189238D+01 -0.510102D+01 -0.580774D+00  0.433408D+00
      2   0.189238D+01  0.314398D+01  0.164801D+01  0.433408D+00 -0.431498D+00
      3  -0.510102D+01  0.164801D+01 -0.190704D+01  0.897266D-01 -0.399585D+00
                21            22            23            24            25 
      1   0.897266D-01  0.191526D+01 -0.878625D-01  0.338739D+00  0.148719D+01
      2  -0.399585D+00 -0.878625D-01  0.209881D+01  0.176116D+01 -0.179599D+00
      3  -0.122987D+01  0.338739D+00  0.176116D+01  0.299287D+01  0.363265D+00
                26            27            28            29            30 
      1  -0.179599D+00  0.363265D+00  0.322913D+00 -0.118799D+01 -0.679703D+00
      2   0.173980D+01  0.123460D+01 -0.118799D+01  0.112533D+01  0.186027D+00
      3   0.123460D+01  0.394487D+01 -0.679703D+00  0.186027D+00  0.751860D+00
                31            32            33            34            35 
      1  -0.248855D+01  0.184639D+01  0.352015D+00 -0.942994D+00  0.381957D+00
      2   0.184639D+01 -0.590806D+01 -0.177312D+01  0.381957D+00 -0.213393D+01
      3   0.352015D+00 -0.177312D+01 -0.179349D+01  0.111672D+01 -0.159998D+01
                36            37            38            39            40 
      1   0.111672D+01 -0.831242D+01  0.200793D+01  0.204641D+00  0.438714D+01
      2  -0.159998D+01  0.200793D+01  0.110900D+01 -0.108621D+01  0.126970D+01
      3  -0.143866D+01  0.204641D+00 -0.108621D+01  0.293784D+01 -0.147000D+01
                41            42            43            44            45 
      1   0.126970D+01 -0.147000D+01 -0.107164D+01 -0.139700D+01  0.259167D+01
      2  -0.330480D+01 -0.284742D+01 -0.139700D+01 -0.275225D+01 -0.615045D+00
      3  -0.284742D+01 -0.187206D+00  0.259167D+01 -0.615045D+00  0.461085D+01
                46            47            48            49            50 
      1   0.165534D+02 -0.172991D+01  0.813429D+00 -0.311633D+01 -0.142775D+01
      2  -0.172991D+01  0.264680D+01  0.400067D-01 -0.142775D+01 -0.565702D+00
      3   0.813429D+00  0.400067D-01  0.201476D+01 -0.156459D+01 -0.382547D+00
                51            52            53            54            55 
      1  -0.156459D+01 -0.101403D+01 -0.104079D+01  0.388890D+01  0.118358D+01
      2  -0.382547D+00 -0.104079D+01 -0.335608D+00 -0.363401D+00  0.404054D+00
      3  -0.159789D+00  0.388890D+01 -0.363401D+00 -0.356351D+00  0.157045D+00
                56            57            58            59            60 
      1   0.404054D+00  0.157045D+00  0.171371D+01  0.897791D+00 -0.158112D-01
      2  -0.840622D-01  0.266183D+00  0.897791D+00  0.610291D+01  0.997229D+00
      3   0.266183D+00 -0.265151D+00 -0.158112D-01  0.997229D+00  0.164511D+01
                61            62            63            64            65 
      1   0.106360D+01  0.598783D+00 -0.837728D-01  0.348659D-01 -0.106758D+00
      2   0.598783D+00  0.204676D+01  0.113944D+01 -0.106758D+00 -0.510111D+00
      3  -0.837728D-01  0.113944D+01  0.587776D+00 -0.910839D+00  0.355137D+00
                66            67            68            69            70 
      1  -0.910839D+00 -0.445306D+00 -0.709004D-01  0.124011D+00 -0.177619D+01
      2   0.355137D+00 -0.709004D-01  0.708979D+00 -0.865673D+00 -0.180606D+00
      3  -0.191285D+01  0.124011D+00 -0.865673D+00  0.598935D+00  0.751063D-01
                71            72            73            74            75 
      1  -0.180606D+00  0.751063D-01  0.127303D+02 -0.458089D+00 -0.146090D+01
      2  -0.122041D+01  0.122355D+01 -0.458089D+00  0.114158D+01 -0.311319D-01
      3   0.122355D+01 -0.847831D+01 -0.146090D+01 -0.311319D-01  0.128631D+01
                76            77            78            79            80 
      1  -0.236787D+01  0.101891D+01  0.499529D+00 -0.652442D-01  0.147105D+00
      2   0.101891D+01 -0.312165D+00  0.172887D+00  0.147105D+00  0.338335D+00
      3   0.499529D+00  0.172887D+00 -0.482154D+00  0.105857D+01 -0.747462D-02
                81            82            83            84            85 
      1   0.105857D+01 -0.490983D+01  0.251428D+01  0.814050D-01 -0.610862D+01
      2  -0.747462D-02  0.251428D+01  0.244767D+01  0.285046D+00  0.377370D+00
      3  -0.707011D+00  0.814050D-01  0.285046D+00  0.816996D+00 -0.273302D+00
                86            87            88            89            90 
      1   0.377370D+00 -0.273302D+00 -0.113759D+01 -0.502710D+00  0.102353D+01
      2  -0.178757D+01  0.759902D+00 -0.502710D+00  0.115374D+01 -0.382468D+01
      3   0.759902D+00 -0.164159D+01  0.102353D+01 -0.382468D+01 -0.221667D+01
                91            92            93            94            95 
      1   0.201280D+01 -0.733292D+00  0.886802D-01 -0.542907D+01  0.731380D+00
      2  -0.733292D+00 -0.311613D+01 -0.682432D+00  0.731380D+00 -0.664717D+00
      3   0.886802D-01 -0.682432D+00 -0.144149D+01  0.618498D+00  0.100860D+01
                96            97            98            99           100 
      1   0.618498D+00 -0.112084D+01  0.625645D+00 -0.294148D+01 -0.569857D+01
      2   0.100860D+01  0.625645D+00  0.132905D+01 -0.311951D+01  0.156839D+00
      3  -0.132188D+01 -0.294148D+01 -0.311951D+01 -0.139722D+01 -0.209979D+00
               101           102           103           104           105 
      1   0.156839D+00 -0.209979D+00  0.672062D+00  0.487333D+00  0.134103D+01
      2  -0.327434D+01 -0.211627D+00  0.487333D+00 -0.211337D+00 -0.507287D+00
      3  -0.211627D+00 -0.226363D+01  0.134103D+01 -0.507287D+00  0.142855D+00
               106           107           108           109           110 
      1  -0.358588D-01  0.116276D+01 -0.526115D+01  0.395252D+01 -0.515788D+00
      2   0.116276D+01 -0.142404D+00  0.432442D+00 -0.515788D+00 -0.200727D+01
      3  -0.526115D+01  0.432442D+00  0.529738D+00 -0.153147D+00  0.907983D-01
               111           112           113           114           115 
      1  -0.153147D+00  0.496233D+01 -0.292317D+00  0.284822D+00  0.116028D+01
      2   0.907983D-01 -0.292317D+00  0.156302D+01 -0.771272D+00  0.440462D+00
      3  -0.901201D+00  0.284822D+00 -0.771272D+00  0.157653D+01 -0.184324D+01
               116           117           118           119           120 
      1   0.440462D+00 -0.184324D+01 -0.422167D+01 -0.503505D+00  0.784681D-02
      2  -0.109080D+01  0.378892D+01 -0.503505D+00  0.337044D+01  0.523003D+00
      3   0.378892D+01  0.223006D+01  0.784681D-02  0.523003D+00  0.138940D+01
               121           122           123           124           125 
      1   0.818336D+01  0.291415D+00  0.145415D+00  0.182915D+01 -0.121974D-01
      2   0.291415D+00  0.125601D+01 -0.578052D+00 -0.121974D-01 -0.106764D+01
      3   0.145415D+00 -0.578052D+00  0.152610D+01  0.198895D+01  0.316930D+01
               126           127           128           129           130 
      1   0.198895D+01  0.153933D+01 -0.174720D+01 -0.381457D+00 -0.153955D+01
      2   0.316930D+01 -0.174720D+01  0.223030D+01  0.437870D+00  0.198238D+01
      3   0.144459D+01 -0.381457D+00  0.437870D+00  0.325834D+00  0.420221D+00
               131           132           133           134           135 
      1   0.198238D+01  0.420221D+00 -0.414528D+00  0.457916D+00 -0.801155D-02
      2  -0.850058D+01 -0.147607D+01  0.457916D+00 -0.157600D+01 -0.360384D+00
      3  -0.147607D+01 -0.119735D+01 -0.801155D-02 -0.360384D+00 -0.223360D+00
               136           137           138           139           140 
      1  -0.484662D+01 -0.374286D+01 -0.626621D+00 -0.366747D+01 -0.430674D+01
      2  -0.374286D+01 -0.345089D+01 -0.468298D+00 -0.430674D+01 -0.645762D+01
      3  -0.626621D+00 -0.468298D+00 -0.678236D+00 -0.753813D+00 -0.970345D+00
               141           142           143           144           145 
      1  -0.753813D+00 -0.585524D+00 -0.705447D+00 -0.186115D+00 -0.127286D+02
      2  -0.970345D+00 -0.705447D+00 -0.115826D+01 -0.237133D+00  0.129669D+01
      3  -0.968465D+00 -0.186115D+00 -0.237133D+00 -0.178684D+00  0.575305D+00
               146           147           148           149           150 
      1   0.129669D+01  0.575305D+00  0.135761D+01 -0.165373D+01 -0.345708D+00
      2  -0.927993D+00 -0.186791D-01 -0.165373D+01  0.486379D+00  0.974426D-01
      3  -0.186791D-01 -0.101587D+01 -0.345708D+00  0.974426D-01  0.160250D+00
               151           152           153           154           155 
      1   0.529884D+00 -0.367951D+00 -0.746567D-01 -0.218941D+01  0.251934D+01
      2  -0.367951D+00  0.969419D-01  0.379643D-01  0.251934D+01 -0.271108D+01
      3  -0.746567D-01  0.379643D-01  0.893076D-01  0.547886D+00 -0.514132D+00
               156           157           158           159           160 
      1   0.547886D+00  0.224598D+01 -0.360639D+01 -0.734955D+00  0.486099D+00
      2  -0.514132D+00 -0.360639D+01  0.911358D+01  0.166684D+01 -0.725388D+00
      3  -0.464594D+00 -0.734955D+00  0.166684D+01  0.125243D+01 -0.165939D+00
               161           162           163           164           165 
      1  -0.725388D+00 -0.165939D+00  0.336103D+01  0.235396D+01  0.177645D+00
      2   0.174507D+01  0.392246D+00  0.235396D+01  0.237253D+01  0.223411D+00
      3   0.392246D+00  0.259452D+00  0.177645D+00  0.223411D+00  0.338398D+00
               166           167           168           169           170 
      1   0.273423D+01  0.280570D+01  0.379383D+00  0.825624D-01  0.369838D+00
      2   0.280570D+01  0.563719D+01  0.766534D+00  0.369838D+00  0.924713D+00
      3   0.379383D+00  0.766534D+00  0.876230D+00 -0.186119D+00  0.116687D+00
               171 
      1  -0.186119D+00
      2   0.116687D+00
      3   0.101430D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.572188D+00  0.387577D+01  0.158411D+01  0.772204D+00 -0.556531D+01
      2   0.135907D+01  0.816208D+00  0.118851D+02  0.268576D+01 -0.238978D+01
      3  -0.828886D+00 -0.804024D+01 -0.163722D+01 -0.376510D+01  0.638749D+01
                 6             7             8             9            10 
      1  -0.757959D+01  0.258483D+01  0.345731D+00  0.523526D-01  0.283900D-01
      2  -0.785738D+01  0.561336D+01 -0.770279D+01  0.515469D+01 -0.442319D+00
      3   0.181403D+01 -0.342412D+01  0.222297D+01  0.540176D+01  0.411817D+01
                11            12            13            14            15 
      1   0.425064D+00 -0.316931D-01  0.107828D+01  0.988791D+00 -0.334565D+01
      2   0.897099D+00 -0.326385D+01  0.113517D+01  0.529822D+01  0.138704D+01
      3   0.246261D+01 -0.322131D+00  0.121161D+02 -0.703569D+01 -0.754496D+01
                16            17            18            19            20 
      1  -0.190535D+01  0.709699D+00 -0.151885D+01  0.207042D+01 -0.198542D+01
      2  -0.147449D+02  0.469324D+01 -0.533363D+01  0.390658D+01 -0.199492D+01
      3   0.314742D+00 -0.873264D+01 -0.141224D+01 -0.243439D+01  0.204705D+01
                21            22            23            24            25 
      1  -0.911613D+00 -0.147150D+01  0.579461D+01  0.350656D+01 -0.491495D+00
      2  -0.283288D+01 -0.293194D+01  0.498989D+01  0.726451D+01 -0.169112D+01
      3   0.101634D+01  0.337163D+01 -0.484202D+01 -0.456108D+01  0.230463D+00
                26            27            28            29            30 
      1   0.438068D+01  0.432107D+01  0.459219D-01 -0.538551D+00  0.704596D+00
      2   0.350098D+01  0.873822D+01 -0.154601D+01  0.231706D+00  0.194584D+01
      3  -0.335036D+01 -0.374910D+01  0.318776D+01 -0.275706D+01 -0.129754D+00
                31            32            33            34            35 
      1  -0.751123D-01  0.137899D+01 -0.259611D+01  0.781205D+00  0.114754D+01
      2  -0.522872D+00 -0.315979D+01 -0.373081D+01  0.258614D+00 -0.284167D+01
      3   0.140308D+01  0.116668D+02  0.366495D+01  0.736235D+00  0.471995D+01
                36            37            38            39            40 
      1  -0.789110D+00 -0.259540D+01 -0.159477D+01 -0.118833D+01  0.219167D-01
      2  -0.219741D+01 -0.695899D+01 -0.583790D+00  0.103734D+02 -0.163842D+00
      3   0.272222D+01 -0.142742D+02 -0.591189D+01  0.367789D+01 -0.348964D+00
                41            42            43            44            45 
      1   0.568626D+01  0.170229D+01  0.790027D+00  0.614753D+01 -0.451176D+01
      2  -0.634440D+01 -0.253607D+01  0.276704D+01 -0.353945D+01  0.162982D+02
      3   0.121552D+02  0.803720D+01  0.320182D+01  0.822420D+01  0.317989D+01
                46            47            48            49            50 
      1   0.550627D+00  0.169595D+00  0.184827D+00  0.775377D+00 -0.211844D+01
      2   0.215954D+01 -0.142353D+01 -0.902230D+00 -0.112843D+01 -0.874491D+00
      3  -0.151339D+01  0.495382D+01  0.849549D+00  0.160942D+02 -0.133500D+01
                51            52            53            54            55 
      1   0.115641D+01  0.117218D+01  0.102289D+02  0.180212D+01 -0.568205D+00
      2   0.296218D+00 -0.146804D+02 -0.242718D+00 -0.935086D+00  0.909508D+00
      3   0.217053D+01  0.485277D+00  0.327250D+00 -0.105679D+01 -0.119138D+01
                56            57            58            59            60 
      1  -0.835613D-01  0.533722D-01 -0.162291D+00 -0.758548D+01 -0.510852D+01
      2   0.845421D+00 -0.102634D+00  0.687219D+00  0.363362D+01  0.444735D+01
      3   0.656079D+00 -0.491432D+00  0.262910D+01 -0.175692D+02 -0.397068D+01
                61            62            63            64            65 
      1  -0.412811D+00 -0.186840D+01 -0.226888D+01  0.762625D+00  0.117641D+01
      2  -0.926005D+00  0.307159D+01  0.162094D+01 -0.370435D+01  0.498688D+00
      3   0.600869D+00 -0.613295D+01 -0.357408D+01 -0.299695D-02  0.889721D+00
                66            67            68            69            70 
      1   0.120280D+01  0.502083D+00 -0.426713D+00 -0.601704D+00  0.627914D+00
      2  -0.519014D+01 -0.115176D+00 -0.208667D+01  0.180450D+01 -0.482754D+01
      3  -0.139557D+01  0.148613D+01 -0.184098D+01  0.202633D+01 -0.132990D+01
                71            72            73            74            75 
      1   0.280841D+01  0.493958D+01  0.140308D+01 -0.165633D+01 -0.656090D+00
      2   0.287730D+01 -0.215731D+02  0.768585D+01 -0.589263D+00  0.502427D+01
      3   0.277827D+01 -0.383308D+01  0.912958D+01 -0.690199D+01 -0.791495D+00
                76            77            78            79            80 
      1  -0.112897D+01  0.196260D+00 -0.792108D+00 -0.612069D+00  0.236103D+00
      2  -0.666693D+00  0.148367D+01 -0.126980D+01  0.131829D+01  0.649530D-01
      3  -0.310005D+01  0.123512D+01 -0.789078D+00 -0.705334D+00 -0.875414D+00
                81            82            83            84            85 
      1   0.176384D+00 -0.842409D+00 -0.708271D+00  0.987235D+00 -0.119924D+01
      2  -0.115971D+01 -0.270982D+01  0.150843D+01 -0.566697D+00  0.143750D+01
      3   0.423949D+00  0.518088D+01 -0.473696D+01 -0.148383D+01  0.382094D+01
                86            87            88            89            90 
      1   0.322087D+00 -0.228170D+01  0.416001D+01  0.669860D+00 -0.409309D+00
      2   0.103331D+01  0.141852D+01 -0.130459D+02  0.168160D+01  0.256802D+01
      3  -0.607219D+01 -0.618401D+00 -0.182488D+01  0.345488D+00 -0.516290D+01
                91            92            93            94            95 
      1   0.440399D-01  0.262879D+00 -0.162919D+01  0.118408D+01 -0.139532D+00
      2   0.107583D+01  0.125616D+01  0.239753D+01 -0.115391D+01 -0.257996D+01
      3  -0.382005D+01 -0.978714D+01 -0.150431D+01  0.609257D+01 -0.663251D+00
                96            97            98            99           100 
      1  -0.158978D+01 -0.641409D+01  0.391807D+01  0.910719D+00  0.901301D-01
      2   0.386344D+01 -0.316353D+01  0.994556D+01  0.331258D+01 -0.874533D+00
      3   0.174109D+01  0.858070D+00  0.267378D+01 -0.430024D+01  0.232163D+01
               101           102           103           104           105 
      1   0.252174D+00  0.673068D+00  0.104072D+00 -0.283722D+01  0.102376D+01
      2  -0.124391D+00  0.570529D+01 -0.406109D+01 -0.203804D+00 -0.928950D+00
      3  -0.613732D+01 -0.720783D-01  0.119573D+02  0.153058D+01 -0.504572D+00
               106           107           108           109           110 
      1   0.195372D+01  0.110570D+02  0.245204D+01  0.487933D+00 -0.213311D+00
      2   0.706466D+01 -0.232632D+01 -0.121145D+01  0.155440D+01  0.260441D+01
      3   0.353617D+01 -0.279648D+00  0.920442D+00 -0.226868D+01 -0.132070D+02
               111           112           113           114           115 
      1   0.166053D+01 -0.111187D+01  0.298975D+00 -0.238768D+01  0.520165D+01
      2   0.138466D+01  0.133433D+01  0.259169D+01 -0.353860D+01 -0.781122D+01
      3  -0.236039D+01  0.353089D+01  0.731707D+00 -0.166396D+01 -0.208244D+00
               116           117           118           119           120 
      1   0.621758D+00 -0.965612D+00 -0.141242D+01 -0.771776D-01 -0.219359D+01
      2  -0.900088D+01 -0.388113D+01 -0.139005D+01  0.301138D+00 -0.133602D+01
      3  -0.273022D+01  0.442231D+01 -0.145339D+01 -0.356117D-02  0.100171D+01
               121           122           123           124           125 
      1   0.905689D+00 -0.508139D+00 -0.190682D+01 -0.713753D+01  0.302771D+01
      2   0.329009D+01 -0.677511D+00 -0.107835D+01 -0.124095D+02 -0.541619D+00
      3   0.179387D+01  0.558881D+01 -0.443557D+00 -0.167103D+01  0.432302D+00
               126           127           128           129           130 
      1  -0.508583D-01  0.215428D-01 -0.244841D+00  0.148332D+01  0.193136D-01
      2  -0.445867D+00  0.122251D+01 -0.884243D+00  0.101366D+00 -0.118966D+01
      3   0.621004D+01 -0.571589D+01  0.370875D+01  0.943444D+00  0.670744D+01
               131           132           133           134           135 
      1   0.746681D+00 -0.409691D+01 -0.479307D+00  0.207307D+01 -0.343741D+00
      2   0.180322D+01 -0.120355D+00 -0.157565D+01  0.377722D+00 -0.101542D+00
      3  -0.851816D+01 -0.189755D+01  0.129608D+01 -0.152954D+01 -0.714619D-01
               136           137           138           139           140 
      1   0.179375D+00  0.547339D+00 -0.223907D+01 -0.106354D+00  0.450020D+00
      2  -0.302981D-01  0.648613D-01  0.290742D+01  0.687367D+00  0.132706D+01
      3  -0.142313D+01 -0.463802D+01 -0.252438D+00 -0.340535D+01 -0.107945D+02
               141           142           143           144           145 
      1  -0.319564D+01  0.841810D+00  0.146369D+01 -0.352738D+00 -0.101932D+00
      2   0.353493D+01 -0.827347D+00 -0.459895D+00  0.384142D+00 -0.856036D+00
      3  -0.127102D+01 -0.715532D+00 -0.204612D+01 -0.271641D+00  0.551536D+00
               146           147           148           149           150 
      1  -0.207770D+00  0.656254D+00  0.483134D-01 -0.309393D-02 -0.392131D+00
      2  -0.963364D-01  0.623732D+01  0.131413D+01 -0.287769D+00 -0.903343D+00
      3  -0.527905D+01  0.177167D+00 -0.377616D+01  0.151458D+01  0.230260D+00
               151           152           153           154           155 
      1  -0.354600D+00  0.462165D+00  0.665972D-02 -0.173746D+00 -0.135709D+00
      2  -0.247073D+01  0.113126D+00 -0.254213D+00 -0.275165D+00  0.374070D+00
      3  -0.135308D+01  0.482679D+00  0.373116D-01  0.669313D+00 -0.232607D+01
               156           157           158           159           160 
      1   0.161358D+01  0.247423D+00  0.301007D+00 -0.437161D+01 -0.609875D+00
      2   0.151759D+01  0.410590D+00 -0.235801D+01 -0.323667D+01 -0.464114D+00
      3  -0.222280D+00 -0.110607D+01  0.131927D+02  0.214744D+01 -0.298409D+00
               161           162           163           164           165 
      1   0.183710D+01 -0.537019D+00  0.582221D+00  0.736479D+00 -0.195413D+01
      2   0.130235D+00 -0.595409D+00 -0.182952D+01 -0.900141D+00  0.728369D+00
      3   0.265539D+01  0.453233D+00  0.933358D+01  0.389140D+01  0.197152D+00
               166           167           168           169           170 
      1   0.340378D+00  0.218668D+00 -0.315686D+01  0.737746D+00  0.185025D+01
      2  -0.104854D+01 -0.119848D+01  0.118383D+01 -0.166751D+01 -0.236073D+00
      3   0.778193D+01  0.510305D+01  0.691200D+00  0.270812D+00  0.814623D+00
               171 
      1  -0.113364D+00
      2   0.353564D+00
      3  -0.339634D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204724D+02 -0.298750D+01  0.170437D+01 -0.343839D+01  0.449528D+01
      2  -0.140775D+02 -0.423512D+00 -0.728016D+01  0.962980D+00  0.439366D+01
      3  -0.639487D+01  0.341102D+01  0.557579D+01  0.247541D+01 -0.888894D+01
      4  -0.524868D+01  0.136185D+02 -0.247996D+01  0.159327D+02 -0.149875D+02
      5   0.155484D+02 -0.308969D+01  0.213303D+02 -0.760728D+01  0.275150D+01
      6  -0.446698D+01  0.523793D+01 -0.106851D+01  0.479719D+01 -0.989457D+01
                 6             7             8             9            10 
      1   0.766406D+01  0.393014D+01  0.505768D+01  0.215128D+00  0.638135D+01
      2   0.403264D+01 -0.125522D+02  0.330407D+01 -0.117736D+02 -0.248628D+01
      3  -0.116967D+02  0.862202D+01 -0.836175D+01  0.115585D+02 -0.389507D+01
      4   0.709254D+00 -0.550230D+01 -0.153934D+01 -0.140946D+02 -0.269032D+01
      5  -0.131899D+02  0.291960D+02 -0.120400D+02  0.214495D+02 -0.559030D+01
      6   0.302296D+01 -0.449812D+01  0.675659D+01 -0.124719D+02  0.347420D+01
                11            12            13            14            15 
      1  -0.326682D+01  0.136750D+01 -0.901235D+01  0.113204D+01  0.561540D+01
      2   0.149411D+01  0.156705D+01  0.701735D+01 -0.590692D+01 -0.943859D+01
      3   0.177272D+01 -0.293455D+01  0.199500D+01  0.477488D+01  0.382319D+01
      4  -0.116233D+02  0.582247D+01 -0.131277D+02  0.168234D+02  0.143063D+02
      5   0.610700D+01 -0.162390D+02  0.120461D+02  0.136970D+02  0.417083D+00
      6   0.162658D+01  0.722592D+00  0.537585D+01 -0.559335D+01 -0.543648D+01
                16            17            18            19            20 
      1  -0.267623D+01  0.505893D+01 -0.532593D+01 -0.106635D+01  0.223746D+01
      2   0.896764D+01 -0.544949D+01  0.739905D+01  0.500877D-01  0.244963D+00
      3  -0.629142D+01  0.390565D+00 -0.207311D+01  0.101626D+01 -0.248242D+01
      4   0.117585D+02  0.139017D+02  0.661240D+01  0.161466D+01 -0.299987D+01
      5  -0.332673D+02  0.585407D+01 -0.101861D+02  0.769779D+00 -0.405718D+00
      6   0.375562D+01 -0.104276D+02  0.480607D+01  0.150238D+01 -0.191342D+01
                21            22            23            24            25 
      1   0.550233D+01  0.454838D+01 -0.633121D+01 -0.624023D+01  0.447764D+01
      2   0.706040D+00 -0.271696D+01 -0.388568D+00 -0.387566D+01 -0.249183D+01
      3  -0.620837D+01 -0.183142D+01  0.671978D+01  0.101159D+02 -0.198582D+01
      4  -0.162432D+01 -0.350016D+00  0.881543D+01  0.736001D+01 -0.130403D+01
      5  -0.251403D+01  0.348244D+01  0.556317D+01  0.106061D+02  0.464360D+01
      6  -0.132453D+01 -0.546853D+00  0.691537D+01  0.772864D+01 -0.835413D+00
                26            27            28            29            30 
      1  -0.370744D+01 -0.876037D+01  0.231600D+01 -0.310928D+01 -0.168270D+01
      2  -0.265624D+01 -0.614096D+01  0.152819D+01  0.379005D+00  0.442795D+00
      3   0.636368D+01  0.149013D+02 -0.384420D+01  0.273027D+01  0.123991D+01
      4   0.655777D+01  0.530410D+01 -0.743916D+01  0.101532D+02  0.206846D+01
      5   0.396266D+01  0.125484D+02 -0.343661D+01  0.196174D+01  0.535542D+01
      6   0.598985D+01  0.438415D+01  0.276002D+01 -0.178721D+01 -0.856172D+00
                31            32            33            34            35 
      1  -0.248857D+01 -0.952346D+01 -0.325118D+01 -0.146449D+01 -0.406697D+01
      2  -0.170709D+01  0.182227D+02  0.478486D+01  0.866587D-01  0.358259D+01
      3   0.419566D+01 -0.869926D+01 -0.153368D+01  0.137783D+01  0.484383D+00
      4   0.124198D+02 -0.262930D+02 -0.796264D+01  0.293166D+01 -0.962568D+01
      5   0.284305D+01 -0.716417D+01 -0.740881D+01  0.690715D+01 -0.624018D+01
      6  -0.294523D+01  0.103820D+02  0.768003D+01 -0.259348D+01  0.882201D+01
                36            37            38            39            40 
      1  -0.321125D+01 -0.520246D+02  0.722910D+01  0.992067D+01  0.168375D+02
      2   0.113171D+01  0.306805D+02 -0.259263D+01  0.927438D+00 -0.104387D+02
      3   0.207954D+01  0.213441D+02 -0.463647D+01 -0.108481D+02 -0.639872D+01
      4  -0.706955D+01  0.840337D+01  0.954806D+01 -0.444437D+01  0.989802D+01
      5  -0.568166D+01  0.116826D+02 -0.695262D+01  0.138889D+02 -0.125028D+02
      6   0.626895D+01 -0.488145D+01 -0.364498D+01  0.551330D+01 -0.488340D+01
                41            42            43            44            45 
      1   0.738094D+01 -0.397153D+01  0.994427D+00 -0.234763D+01  0.239974D+02
      2  -0.148184D+02 -0.313924D+01  0.170534D+01 -0.634223D+01  0.650795D+00
      3   0.743749D+01  0.711077D+01 -0.269977D+01  0.868986D+01 -0.246482D+02
      4  -0.156297D+02 -0.159690D+02 -0.813213D+01 -0.154890D+02  0.136308D+01
      5  -0.169179D+02  0.807041D+00  0.141857D+02 -0.123366D+01  0.135773D+02
      6  -0.225323D+01  0.458475D+01  0.387532D+01  0.360047D+01  0.379167D+01
                46            47            48            49            50 
      1  -0.183303D+02  0.370209D+01  0.155657D+01 -0.712324D+00 -0.907694D+01
      2   0.418671D+01 -0.267413D+01 -0.127879D+01  0.463999D+01  0.142839D+02
      3   0.141436D+02 -0.102795D+01 -0.277785D+00 -0.392767D+01 -0.520694D+01
      4  -0.125793D+01  0.462208D+01 -0.643448D+00 -0.111890D+02  0.178972D+01
      5   0.733265D+01 -0.708796D+00  0.372057D+01 -0.595881D+01 -0.958540D+00
      6  -0.315133D+01  0.247871D-01 -0.214157D+01  0.223659D+01  0.428492D+01
                51            52            53            54            55 
      1  -0.867820D+00  0.106054D+01 -0.121993D+01 -0.786796D+01  0.658660D+01
      2   0.602698D+01  0.221211D+01  0.315154D+01 -0.348376D+01 -0.189972D+01
      3  -0.515916D+01 -0.327265D+01 -0.193161D+01  0.113517D+02 -0.468688D+01
      4  -0.141153D+01 -0.418129D+01 -0.743119D+00  0.108157D+00  0.306805D+01
      5   0.171279D+00  0.591505D+01 -0.917567D-01 -0.102567D+00 -0.784461D+00
      6  -0.120778D+01 -0.103090D+01  0.462348D+01 -0.296647D+01  0.256422D+00
                56            57            58            59            60 
      1   0.291628D+01 -0.880906D+00  0.582888D+01 -0.972573D+01 -0.700660D+00
      2  -0.118044D+01  0.232256D+00 -0.821735D+00  0.253672D+02  0.565858D+01
      3  -0.173584D+01  0.648651D+00 -0.500714D+01 -0.156414D+02 -0.495792D+01
      4   0.234428D+01  0.160827D+01  0.956187D+01  0.315294D+02  0.540778D+01
      5   0.983315D+00 -0.462567D+00 -0.106328D+01  0.612359D+01  0.836516D+01
      6   0.526967D+00 -0.831988D+00 -0.806599D+00 -0.354363D+01  0.438896D+01
                61            62            63            64            65 
      1   0.363683D+01 -0.416861D+00 -0.420653D+01 -0.596802D+00  0.823236D+00
      2  -0.121599D+01  0.584924D+01  0.298092D+01 -0.294508D+01 -0.502038D+00
      3  -0.242084D+01 -0.543238D+01  0.122561D+01  0.354188D+01 -0.321198D+00
      4   0.493645D+01  0.111023D+02  0.528073D+01 -0.141224D+01 -0.158295D+01
      5   0.283569D+00  0.562275D+01  0.391487D+01 -0.138369D+01  0.999256D+00
      6   0.112584D+00  0.327072D+01  0.258848D+01 -0.772032D+00  0.233469D+01
                66            67            68            69            70 
      1  -0.103239D+02 -0.145693D+01 -0.509920D+01  0.294514D+01 -0.879614D+01
      2  -0.682437D+00  0.982625D+00  0.207942D+01 -0.998574D+00  0.435273D+01
      3   0.110064D+02  0.474309D+00  0.301978D+01 -0.194657D+01  0.444341D+01
      4  -0.443309D+00  0.874273D+00  0.297297D+01 -0.306361D+01 -0.317449D+01
      5  -0.240045D+01  0.767605D+00 -0.236226D+01  0.243663D+01  0.761717D+01
      6  -0.275309D+01  0.509245D+00 -0.219564D+01  0.754723D+01  0.104058D+00
                71            72            73            74            75 
      1   0.384020D+01 -0.264598D+02  0.849001D+02 -0.463645D+01 -0.687784D+01
      2  -0.227869D+00 -0.140875D+02 -0.469240D+02  0.358929D+01  0.639115D+01
      3  -0.361233D+01  0.405473D+02 -0.379761D+02  0.104716D+01  0.486697D+00
      4  -0.510314D+01  0.294123D+01  0.364732D+01  0.105735D+02 -0.527883D+00
      5   0.506443D+01 -0.331948D+02 -0.244465D+02  0.907846D+00  0.130563D+02
      6   0.760118D+01 -0.123775D+02  0.942804D+00 -0.276060D+01  0.914446D+00
                76            77            78            79            80 
      1  -0.145276D+02  0.668874D+01  0.122733D+01  0.263292D+00  0.216425D+00
      2   0.868520D+01 -0.170558D+01 -0.111573D+01  0.182673D+01  0.512920D+00
      3   0.584245D+01 -0.498316D+01 -0.111602D+00 -0.209003D+01 -0.729345D+00
      4   0.925087D+01 -0.246474D+01  0.651859D+00  0.637945D+00  0.137394D+01
      5   0.536209D+01 -0.605175D+00 -0.342520D+01  0.109152D+02 -0.569577D+00
      6  -0.237732D+01  0.131450D+01  0.743449D+00  0.422890D+00  0.850265D+00
                81            82            83            84            85 
      1   0.452702D+01  0.120479D+02  0.105630D+02  0.175196D+01  0.386682D+00
      2  -0.502439D+01 -0.850506D+01 -0.841645D+01  0.226633D+00  0.790809D+01
      3   0.497372D+00 -0.354281D+01 -0.214655D+01 -0.197859D+01 -0.829477D+01
      4  -0.239350D+00  0.704788D+01 -0.177527D+02 -0.315715D+01  0.101475D+02
      5  -0.472025D+01 -0.165674D+01 -0.268865D+01 -0.372598D+01  0.532238D+00
      6  -0.579818D+00 -0.968598D+00 -0.490399D+00 -0.255030D+01  0.442625D+01
                86            87            88            89            90 
      1   0.847302D+01  0.438188D+01 -0.135094D+01  0.363683D+01 -0.154867D+02
      2  -0.131467D+02 -0.557624D+01  0.378607D+01 -0.933610D+01  0.191564D+01
      3   0.467365D+01  0.119437D+01 -0.243514D+01  0.569927D+01  0.135710D+02
      4   0.137858D+02  0.171245D+01 -0.518532D+00  0.183763D+01  0.588082D+01
      5   0.179272D+01  0.802801D+00  0.342998D+01  0.508651D+01  0.379605D+01
      6  -0.813910D+01  0.406146D+01 -0.242206D+01  0.150798D+02  0.398337D+01
                91            92            93            94            95 
      1  -0.183733D+01 -0.229422D+02 -0.530621D+01  0.268327D+02  0.557039D+01
      2  -0.132008D+01  0.153353D+02  0.104422D+01 -0.239208D+02 -0.820874D+01
      3   0.315742D+01  0.760689D+01  0.426199D+01 -0.291190D+01  0.263836D+01
      4  -0.148547D+02  0.373927D+01  0.112256D+01  0.118904D+01 -0.101108D+02
      5  -0.511848D+00  0.813916D-01  0.510670D+01 -0.483093D+01 -0.664220D+01
      6  -0.229904D+00  0.200700D+01  0.477980D+01 -0.625782D+01 -0.589040D+01
                96            97            98            99           100 
      1   0.788712D+00  0.589225D+01  0.230676D+01  0.232191D+01 -0.101605D+02
      2  -0.107753D+01 -0.890576D+01 -0.614167D+01 -0.807389D+01  0.735722D+01
      3   0.288817D+00  0.301351D+01  0.383491D+01  0.575198D+01  0.280330D+01
      4  -0.762658D+01 -0.236714D+01 -0.814251D+01  0.150887D+02  0.219966D+01
      5   0.784162D+01  0.189448D+02  0.153512D+02  0.755829D+01  0.190676D+01
      6   0.297376D+01  0.744982D+01  0.114817D+02 -0.184731D+00  0.126924D+01
               101           102           103           104           105 
      1   0.404327D+01  0.254906D+01 -0.888260D+01 -0.218617D+02 -0.763433D+01
      2  -0.306141D+01 -0.115959D+01  0.775247D+01  0.182583D+02  0.814074D+01
      3  -0.981860D+00 -0.138947D+01  0.113013D+01  0.360340D+01 -0.506415D+00
      4   0.212380D+02  0.142876D+01 -0.191929D+02  0.381291D+01  0.333593D+01
      5   0.120096D+01  0.134661D+02 -0.104099D+02  0.107863D+01 -0.136525D+01
      6  -0.128641D+00 -0.161474D+01  0.289444D+01  0.384438D+01 -0.160824D+01
               106           107           108           109           110 
      1   0.860034D+00 -0.775812D+01  0.148192D+02  0.952116D+01  0.209674D+02
      2   0.171215D+01  0.609902D+01 -0.174077D+02 -0.970868D+01 -0.141164D+02
      3  -0.257218D+01  0.165910D+01  0.258850D+01  0.187519D+00 -0.685101D+01
      4  -0.117224D+02  0.186827D+01 -0.350264D+01  0.156072D+02 -0.563301D+01
      5   0.353081D+02 -0.348655D+01 -0.228144D+01  0.416056D+01 -0.119873D+01
      6  -0.221149D+01  0.479764D+01 -0.356316D+01 -0.413630D+01 -0.577476D+00
               111           112           113           114           115 
      1   0.342628D+01 -0.205756D+02  0.115912D+02  0.366501D+01 -0.405904D+01
      2  -0.805966D+00  0.176091D+02 -0.149663D+02 -0.534407D+01  0.587248D+01
      3  -0.262032D+01  0.296647D+01  0.337510D+01  0.167906D+01 -0.181345D+01
      4  -0.266627D+01  0.111250D+02  0.306501D+01  0.493494D+01 -0.744605D+00
      5  -0.117271D-01  0.521915D-01  0.548974D+01 -0.759035D+01  0.123334D+02
      6  -0.377719D+01  0.402232D+01 -0.893189D+01  0.429460D+01 -0.669819D+01
               116           117           118           119           120 
      1   0.182076D+01 -0.557573D+01 -0.273796D+01 -0.171692D+02 -0.328447D+01
      2  -0.837865D+01 -0.330437D+01  0.158396D+01  0.133014D+02  0.191319D+00
      3   0.655790D+01  0.888010D+01  0.115400D+01  0.386777D+01  0.309315D+01
      4   0.770443D+01 -0.145049D+02 -0.122396D+02 -0.108177D+02 -0.619774D+00
      5  -0.148075D+02 -0.809695D+01 -0.276196D+01 -0.151900D+01 -0.264103D+01
      6   0.149780D+02  0.309535D+01  0.216392D+01  0.118951D+01  0.519405D+01
               121           122           123           124           125 
      1   0.457105D+01  0.316832D+01  0.302070D+01  0.507719D+00  0.380244D+01
      2  -0.142558D+02 -0.604836D+01 -0.304124D+01 -0.575303D+01 -0.633909D+01
      3   0.968479D+01  0.288004D+01  0.205425D-01  0.524531D+01  0.253665D+01
      4   0.496829D+01 -0.134466D+02 -0.220044D+01  0.225004D+01 -0.179202D+01
      5   0.275126D+01 -0.218827D+01  0.949909D+00  0.195835D+01 -0.161101D+01
      6  -0.689784D+01 -0.484053D+01  0.379275D+01  0.588900D+01  0.115443D+02
               126           127           128           129           130 
      1  -0.148274D+02 -0.525008D+01  0.878061D+01  0.193916D+01  0.733773D+01
      2   0.168997D+01  0.669400D+01 -0.107335D+02 -0.149703D+01 -0.912601D+01
      3   0.131374D+02 -0.144392D+01  0.195293D+01 -0.442137D+00  0.178828D+01
      4  -0.283959D+01 -0.367582D+01  0.703363D+01  0.115061D+01  0.518043D+01
      5   0.851205D+00 -0.807132D+00  0.116214D+01  0.133751D+01  0.916932D+00
      6   0.631566D+00  0.202534D+01 -0.265635D+01 -0.229293D+01 -0.234594D+01
               131           132           133           134           135 
      1  -0.325182D+02 -0.628191D+01  0.146659D+01 -0.596222D+01 -0.235862D+01
      2   0.433689D+02  0.573561D+01 -0.174084D+01  0.723468D+01  0.267792D+01
      3  -0.108507D+02  0.546307D+00  0.274257D+00 -0.127246D+01 -0.319302D+00
      4   0.647352D+00  0.427811D+00  0.108130D+01  0.261305D+00 -0.133048D+01
      5   0.601910D+00  0.155515D+00  0.744761D+00 -0.626913D+00 -0.438771D+00
      6   0.102828D+02  0.805838D+01 -0.709470D+00  0.366866D+01  0.232542D+01
               136           137           138           139           140 
      1   0.215332D+02  0.134494D+02  0.228955D+01  0.909492D+01  0.342008D+01
      2  -0.430183D+01  0.813314D+00 -0.928417D+00  0.571259D+01  0.159005D+02
      3  -0.172313D+02 -0.142627D+02 -0.136113D+01 -0.148075D+02 -0.193206D+02
      4   0.319125D+02  0.291780D+02  0.389373D+01  0.323702D+02  0.425129D+02
      5   0.608159D+01  0.443179D+01  0.636366D+01  0.610047D+01  0.708016D+01
      6   0.243631D+01  0.217101D+01  0.336137D+01  0.382022D+01  0.532177D+01
               141           142           143           144           145 
      1   0.706488D+00  0.129570D+01  0.242648D+00 -0.252717D+00  0.960424D+02
      2   0.604847D+00  0.809810D+00  0.216703D+01  0.946231D+00 -0.538574D+02
      3  -0.131134D+01 -0.210551D+01 -0.240968D+01 -0.693514D+00 -0.421850D+02
      4   0.620181D+01  0.541703D+01  0.671626D+01  0.293602D+01 -0.148100D+02
      5   0.627728D+01  0.236677D+01  0.254823D+01  0.150412D+01 -0.465713D+01
      6   0.603194D+01  0.181584D+01  0.276979D+01  0.175737D+01 -0.197113D+01
               146           147           148           149           150 
      1  -0.882447D+01 -0.374684D+01 -0.840054D+01  0.960275D+01  0.149855D+01
      2   0.424740D+01  0.251745D+01  0.362123D+01 -0.436166D+01 -0.120421D+01
      3   0.457707D+01  0.122939D+01  0.477931D+01 -0.524110D+01 -0.294337D+00
      4   0.994785D+01  0.268667D+00  0.156774D+02 -0.466156D+01 -0.931142D+00
      5   0.784951D-01  0.105409D+02  0.277226D+01 -0.844293D+00 -0.140092D+01
      6  -0.285797D-01 -0.790519D+00 -0.392619D+00 -0.176585D+00  0.150028D+01
               151           152           153           154           155 
      1  -0.415767D+01  0.160628D+01  0.302886D+01  0.500216D+01 -0.434142D+01
      2   0.228764D+01 -0.856199D+00 -0.204656D+01  0.339822D+01 -0.529872D+01
      3   0.187004D+01 -0.750079D+00 -0.982300D+00 -0.840038D+01  0.964014D+01
      4   0.303235D+01 -0.110757D+01 -0.724086D+00 -0.178612D+02  0.223413D+02
      5   0.276639D+01 -0.493701D+00 -0.866470D+00 -0.340430D+01  0.370061D+01
      6  -0.187639D+00  0.707496D+00  0.259206D+00  0.251690D+01 -0.281691D+01
               156           157           158           159           160 
      1  -0.916352D+00  0.762203D+00 -0.158059D+02 -0.297630D+01  0.275334D-01
      2  -0.231717D+00 -0.110224D+02  0.374117D+02  0.460278D+01 -0.170024D+01
      3   0.114807D+01  0.102602D+02 -0.216058D+02 -0.162648D+01  0.167271D+01
      4   0.408377D+01  0.233730D+02 -0.456488D+02 -0.813483D+01  0.462718D+01
      5   0.422371D+01  0.413989D+01 -0.741543D+01 -0.594752D+01  0.174074D+01
      6  -0.265871D+01 -0.416413D+01  0.101787D+02  0.851434D+01 -0.171455D+01
               161           162           163           164           165 
      1  -0.266321D+01 -0.191053D+01 -0.404012D+01 -0.626907D+01 -0.969097D+00
      2   0.601830D+01  0.259366D+01  0.616718D+01  0.901170D+01  0.608203D+00
      3  -0.335509D+01 -0.683133D+00 -0.212706D+01 -0.274263D+01  0.360894D+00
      4  -0.879389D+01 -0.301298D+01  0.886304D+01  0.829748D+01  0.761053D+00
      5  -0.220260D+01 -0.179180D+01  0.472695D+00  0.550528D+00  0.162924D+01
      6   0.424002D+01  0.271598D+01  0.123019D+01  0.168609D+01  0.217470D+01
               166           167           168           169           170 
      1  -0.728778D+01 -0.197308D+02 -0.332389D+01 -0.917756D+00 -0.318115D+01
      2   0.102833D+02  0.265657D+02  0.269321D+01  0.173093D+01  0.407358D+01
      3  -0.299556D+01 -0.683497D+01  0.630678D+00 -0.813178D+00 -0.892428D+00
      4   0.846052D+01  0.836192D+01  0.765957D+00  0.974423D+00  0.101270D+01
      5   0.606424D+00  0.919827D+00  0.149745D+01  0.579907D+00  0.787691D+00
      6   0.204996D+01  0.453640D+01  0.535364D+01  0.350237D+00  0.187125D+01
               171 
      1  -0.682507D+00
      2   0.134047D+01
      3  -0.657966D+00
      4   0.180284D+01
      5   0.675396D+00
      6   0.113783D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x         -0.414972D+00     -0.105475D+01     -0.351828D+01
   y          0.430442D+00      0.109407D+01      0.364944D+01
   z         -0.236947D+00     -0.602259D+00     -0.200892D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.120315D+03      0.178288D+02      0.198373D+02
   yx         0.658091D+00      0.975190D-01      0.108504D+00
   yy         0.970347D+02      0.143791D+02      0.159989D+02
   zx        -0.168596D+01     -0.249834D+00     -0.277977D+00
   zy         0.591442D+01      0.876426D+00      0.975156D+00
   zz         0.667553D+02      0.989212D+01      0.110065D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100273D+03      0.148590D+02      0.165328D+02
   aniso      0.484043D+02      0.717278D+01      0.798079D+01
   xx         0.126569D+03      0.187556D+02      0.208685D+02
   yx         0.874074D+00      0.129524D+00      0.144115D+00
   yy         0.102226D+03      0.151483D+02      0.168547D+02
   zx        -0.148567D+01     -0.220154D+00     -0.244954D+00
   zy         0.560187D+01      0.830111D+00      0.923623D+00
   zz         0.720247D+02      0.106730D+02      0.118753D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          1.06769431         -2.11508468         -4.15855482
     6          2.09106880         -0.30135558         -2.41856796
     1          0.42917632         -3.52524239         -3.19773248
     1          2.30108628          1.40968632         -3.55141128
     6          4.69568660         -1.11614513         -1.50044667
     6          0.22793453          0.25468875         -0.31926551
     1          4.60407522         -2.88607999         -0.44456533
     1          5.52493693          0.31960982         -0.27291979
     1          5.93541503         -1.40762384         -3.11920623
     6         -1.33996906          2.36446622         -0.47735407
     6         -3.12791380          2.86092163          1.37958643
     6         -3.38144689          1.23735887          3.42798868
     6         -1.83254271         -0.87626101          3.60663543
     6         -0.03887991         -1.35708526          1.75072863
     1         -1.15766375          3.62580393         -2.07949126
     1         -4.32445908          4.51305342          1.22607504
     1         -4.77269304          1.61821220          4.87797413
     1         -2.01243294         -2.14636733          5.20028364
     1          1.16740130         -2.99990985          1.93360185

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643137D+00      0.163469D+01      0.545275D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.950926D+02      0.140913D+02      0.156787D+02
   yx        -0.168015D+02     -0.248972D+01     -0.277019D+01
   yy         0.906823D+02      0.134377D+02      0.149515D+02
   zx        -0.209882D+02     -0.311013D+01     -0.346048D+01
   zy        -0.468700D+01     -0.694541D+00     -0.772781D+00
   zz         0.983301D+02      0.145710D+02      0.162124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100273D+03      0.148590D+02      0.165328D+02
   aniso      0.484043D+02      0.717278D+01      0.798079D+01
   xx         0.100873D+03      0.149479D+02      0.166318D+02
   yx        -0.172458D+02     -0.255557D+01     -0.284345D+01
   yy         0.959091D+02      0.142123D+02      0.158133D+02
   zx        -0.211870D+02     -0.313959D+01     -0.349327D+01
   zy        -0.423065D+01     -0.626918D+00     -0.697540D+00
   zz         0.104037D+03      0.154167D+02      0.171534D+02

 ----------------------------------------------------------------------
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 ALMOST ANYTHING IS EASIER TO GET INTO THAN OUT OF.

                         -- AGNES ALLEN'S LAW FROM
                PAUL DICKSON'S "THE OFFICIAL RULES"
 Job cpu time:       0 days  1 hours 29 minutes 28.5 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 13.4 seconds.
 File lengths (MBytes):  RWF=    227 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:40:56 2021.
